USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 152:sc= -0.636 (180deg=-1.46) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.577 USER MOD Single : A 10 LYS NZ :NH3+ -157:sc= -0.0512 (180deg=-0.315) USER MOD Single : A 12 SER OG : rot -11:sc= -0.122 USER MOD Single : A 13 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.4!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 142:sc= 0.722 USER MOD Single : A 27 THR OG1 : rot 72:sc= -2.56! USER MOD Single : A 28 MET CE :methyl 166:sc= 0 (180deg=-0.165) USER MOD Single : A 36 HIS : no HD1:sc= -0.321 X(o=-0.32,f=-0.16) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 MET CE :methyl -175:sc= -5.62! (180deg=-5.71!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -170:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.38) USER MOD Single : A 65 ASN : amide:sc= -2.61 K(o=-2.6,f=-4.3!) USER MOD Single : A 70 THR OG1 : rot 37:sc= -2.1! USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN :FLIP amide:sc= 0.272 F(o=-0.49,f=0.27) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 0:sc= 0.775 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 1.769 15.317 22.250 1.00 0.00 N ATOM 2 CA VAL A 1 2.751 14.470 22.984 1.00 0.00 C ATOM 3 C VAL A 1 3.808 15.345 23.649 1.00 0.00 C ATOM 4 O VAL A 1 4.932 15.454 23.160 1.00 0.00 O ATOM 5 CB VAL A 1 3.428 13.479 22.040 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.529 12.270 21.799 1.00 0.00 C ATOM 7 CG2 VAL A 1 3.785 14.153 20.719 1.00 0.00 C ATOM 0 H1 VAL A 1 1.371 14.777 21.455 1.00 0.00 H new ATOM 0 H2 VAL A 1 1.003 15.599 22.895 1.00 0.00 H new ATOM 0 H3 VAL A 1 2.246 16.167 21.887 1.00 0.00 H new ATOM 0 HA VAL A 1 2.210 13.911 23.748 1.00 0.00 H new ATOM 0 HB VAL A 1 4.350 13.134 22.508 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.028 11.575 21.124 1.00 0.00 H new ATOM 0 HG12 VAL A 1 2.326 11.773 22.747 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.590 12.598 21.353 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.266 13.430 20.060 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.878 14.528 20.245 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.466 14.983 20.906 1.00 0.00 H new ATOM 19 N PRO A 2 3.459 15.984 24.780 1.00 0.00 N ATOM 20 CA PRO A 2 4.386 16.855 25.515 1.00 0.00 C ATOM 21 C PRO A 2 5.369 16.058 26.366 1.00 0.00 C ATOM 22 O PRO A 2 5.027 15.003 26.900 1.00 0.00 O ATOM 23 CB PRO A 2 3.475 17.701 26.392 1.00 0.00 C ATOM 24 CG PRO A 2 2.229 16.894 26.581 1.00 0.00 C ATOM 25 CD PRO A 2 2.141 15.913 25.433 1.00 0.00 C ATOM 0 HA PRO A 2 5.006 17.448 24.843 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.948 17.921 27.349 1.00 0.00 H new ATOM 0 HB3 PRO A 2 3.254 18.657 25.918 1.00 0.00 H new ATOM 0 HG2 PRO A 2 2.255 16.366 27.534 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.352 17.542 26.599 1.00 0.00 H new ATOM 0 HD2 PRO A 2 1.929 14.905 25.789 1.00 0.00 H new ATOM 0 HD3 PRO A 2 1.342 16.182 24.742 1.00 0.00 H new ATOM 33 N LYS A 3 6.593 16.565 26.484 1.00 0.00 N ATOM 34 CA LYS A 3 7.626 15.896 27.264 1.00 0.00 C ATOM 35 C LYS A 3 8.632 16.904 27.807 1.00 0.00 C ATOM 36 O LYS A 3 9.467 17.424 27.067 1.00 0.00 O ATOM 37 CB LYS A 3 8.338 14.870 26.392 1.00 0.00 C ATOM 38 CG LYS A 3 9.039 15.536 25.212 1.00 0.00 C ATOM 39 CD LYS A 3 9.167 14.576 24.033 1.00 0.00 C ATOM 40 CE LYS A 3 10.572 13.985 23.951 1.00 0.00 C ATOM 41 NZ LYS A 3 10.570 12.678 23.236 1.00 0.00 N ATOM 0 H LYS A 3 6.892 17.437 26.049 1.00 0.00 H new ATOM 0 HA LYS A 3 7.155 15.393 28.109 1.00 0.00 H new ATOM 0 HB2 LYS A 3 9.068 14.325 26.991 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.617 14.139 26.024 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.480 16.420 24.905 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.029 15.875 25.518 1.00 0.00 H new ATOM 0 HD2 LYS A 3 8.437 13.773 24.134 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.936 15.101 23.106 1.00 0.00 H new ATOM 0 HE2 LYS A 3 11.232 14.682 23.436 1.00 0.00 H new ATOM 0 HE3 LYS A 3 10.972 13.851 24.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 11.539 12.302 23.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.958 12.006 23.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.211 12.812 22.269 1.00 0.00 H new ATOM 55 N VAL A 4 8.552 17.168 29.108 1.00 0.00 N ATOM 56 CA VAL A 4 9.462 18.106 29.760 1.00 0.00 C ATOM 57 C VAL A 4 10.063 17.473 31.009 1.00 0.00 C ATOM 58 O VAL A 4 9.609 16.422 31.463 1.00 0.00 O ATOM 59 CB VAL A 4 8.720 19.385 30.139 1.00 0.00 C ATOM 60 CG1 VAL A 4 8.535 20.285 28.920 1.00 0.00 C ATOM 61 CG2 VAL A 4 7.373 19.054 30.771 1.00 0.00 C ATOM 0 H VAL A 4 7.865 16.745 29.733 1.00 0.00 H new ATOM 0 HA VAL A 4 10.263 18.352 29.063 1.00 0.00 H new ATOM 0 HB VAL A 4 9.321 19.924 30.871 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.004 21.190 29.214 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.510 20.552 28.513 1.00 0.00 H new ATOM 0 HG13 VAL A 4 7.958 19.756 28.161 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.858 19.978 31.035 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.767 18.491 30.062 1.00 0.00 H new ATOM 0 HG23 VAL A 4 7.529 18.457 31.669 1.00 0.00 H new ATOM 71 N THR A 5 11.084 18.119 31.564 1.00 0.00 N ATOM 72 CA THR A 5 11.746 17.620 32.765 1.00 0.00 C ATOM 73 C THR A 5 12.216 18.781 33.631 1.00 0.00 C ATOM 74 O THR A 5 12.605 19.832 33.120 1.00 0.00 O ATOM 75 CB THR A 5 12.932 16.740 32.382 1.00 0.00 C ATOM 76 OG1 THR A 5 13.440 17.134 31.117 1.00 0.00 O ATOM 77 CG2 THR A 5 12.524 15.270 32.347 1.00 0.00 C ATOM 0 H THR A 5 11.471 18.990 31.201 1.00 0.00 H new ATOM 0 HA THR A 5 11.033 17.025 33.335 1.00 0.00 H new ATOM 0 HB THR A 5 13.711 16.863 33.134 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.202 16.566 30.879 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.384 14.660 32.072 1.00 0.00 H new ATOM 0 HG22 THR A 5 12.165 14.968 33.331 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.730 15.130 31.613 1.00 0.00 H new ATOM 85 N PHE A 6 12.172 18.589 34.946 1.00 0.00 N ATOM 86 CA PHE A 6 12.588 19.625 35.886 1.00 0.00 C ATOM 87 C PHE A 6 13.777 19.157 36.712 1.00 0.00 C ATOM 88 O PHE A 6 14.046 17.961 36.813 1.00 0.00 O ATOM 89 CB PHE A 6 11.427 19.983 36.807 1.00 0.00 C ATOM 90 CG PHE A 6 10.326 20.722 36.093 1.00 0.00 C ATOM 91 CD1 PHE A 6 9.537 20.062 35.166 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.106 22.063 36.359 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.528 20.742 34.505 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.096 22.744 35.700 1.00 0.00 C ATOM 95 CZ PHE A 6 8.308 22.084 34.772 1.00 0.00 C ATOM 0 H PHE A 6 11.852 17.726 35.385 1.00 0.00 H new ATOM 0 HA PHE A 6 12.887 20.507 35.319 1.00 0.00 H new ATOM 0 HB2 PHE A 6 11.022 19.071 37.246 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.796 20.596 37.629 1.00 0.00 H new ATOM 0 HD1 PHE A 6 9.709 19.016 34.958 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.722 22.578 37.081 1.00 0.00 H new ATOM 0 HE1 PHE A 6 7.913 20.227 33.782 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.923 23.789 35.910 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.522 22.615 34.256 1.00 0.00 H new ATOM 105 N THR A 7 14.485 20.112 37.306 1.00 0.00 N ATOM 106 CA THR A 7 15.647 19.804 38.130 1.00 0.00 C ATOM 107 C THR A 7 15.704 20.741 39.328 1.00 0.00 C ATOM 108 O THR A 7 14.719 21.400 39.660 1.00 0.00 O ATOM 109 CB THR A 7 16.925 19.935 37.306 1.00 0.00 C ATOM 110 OG1 THR A 7 16.619 19.866 35.922 1.00 0.00 O ATOM 111 CG2 THR A 7 17.923 18.841 37.677 1.00 0.00 C ATOM 0 H THR A 7 14.273 21.107 37.232 1.00 0.00 H new ATOM 0 HA THR A 7 15.560 18.778 38.488 1.00 0.00 H new ATOM 0 HB THR A 7 17.379 20.902 37.525 1.00 0.00 H new ATOM 0 HG1 THR A 7 17.444 19.952 35.400 1.00 0.00 H new ATOM 0 HG21 THR A 7 18.826 18.954 37.077 1.00 0.00 H new ATOM 0 HG22 THR A 7 18.177 18.923 38.734 1.00 0.00 H new ATOM 0 HG23 THR A 7 17.480 17.864 37.485 1.00 0.00 H new ATOM 119 N VAL A 8 16.861 20.795 39.975 1.00 0.00 N ATOM 120 CA VAL A 8 17.048 21.651 41.140 1.00 0.00 C ATOM 121 C VAL A 8 18.441 22.266 41.127 1.00 0.00 C ATOM 122 O VAL A 8 19.398 21.672 41.624 1.00 0.00 O ATOM 123 CB VAL A 8 16.845 20.840 42.415 1.00 0.00 C ATOM 124 CG1 VAL A 8 16.959 21.737 43.643 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.493 20.132 42.393 1.00 0.00 C ATOM 0 H VAL A 8 17.686 20.255 39.712 1.00 0.00 H new ATOM 0 HA VAL A 8 16.313 22.455 41.108 1.00 0.00 H new ATOM 0 HB VAL A 8 17.627 20.083 42.467 1.00 0.00 H new ATOM 0 HG11 VAL A 8 16.811 21.141 44.544 1.00 0.00 H new ATOM 0 HG12 VAL A 8 17.948 22.195 43.669 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.199 22.517 43.595 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.367 19.559 43.312 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.696 20.872 42.315 1.00 0.00 H new ATOM 0 HG23 VAL A 8 15.448 19.459 41.537 1.00 0.00 H new ATOM 135 N GLU A 9 18.548 23.460 40.554 1.00 0.00 N ATOM 136 CA GLU A 9 19.825 24.161 40.469 1.00 0.00 C ATOM 137 C GLU A 9 20.428 24.345 41.856 1.00 0.00 C ATOM 138 O GLU A 9 19.720 24.310 42.862 1.00 0.00 O ATOM 139 CB GLU A 9 19.627 25.519 39.802 1.00 0.00 C ATOM 140 CG GLU A 9 19.161 25.362 38.358 1.00 0.00 C ATOM 141 CD GLU A 9 20.238 25.854 37.400 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.484 27.078 37.359 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.834 25.015 36.693 1.00 0.00 O ATOM 0 H GLU A 9 17.764 23.964 40.140 1.00 0.00 H new ATOM 0 HA GLU A 9 20.512 23.563 39.870 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.894 26.099 40.362 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.562 26.079 39.826 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.933 24.316 38.154 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.241 25.925 38.202 1.00 0.00 H new ATOM 150 N LYS A 10 21.742 24.542 41.900 1.00 0.00 N ATOM 151 CA LYS A 10 22.452 24.733 43.162 1.00 0.00 C ATOM 152 C LYS A 10 21.892 25.930 43.926 1.00 0.00 C ATOM 153 O LYS A 10 22.094 26.051 45.134 1.00 0.00 O ATOM 154 CB LYS A 10 23.939 24.939 42.891 1.00 0.00 C ATOM 155 CG LYS A 10 24.182 26.204 42.071 1.00 0.00 C ATOM 156 CD LYS A 10 25.657 26.351 41.706 1.00 0.00 C ATOM 157 CE LYS A 10 26.390 27.234 42.713 1.00 0.00 C ATOM 158 NZ LYS A 10 25.950 28.654 42.610 1.00 0.00 N ATOM 0 H LYS A 10 22.339 24.574 41.074 1.00 0.00 H new ATOM 0 HA LYS A 10 22.314 23.842 43.774 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.477 25.006 43.836 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.337 24.075 42.358 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.581 26.172 41.162 1.00 0.00 H new ATOM 0 HG3 LYS A 10 23.856 27.076 42.638 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.126 25.367 41.672 1.00 0.00 H new ATOM 0 HD3 LYS A 10 25.746 26.781 40.708 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.207 26.867 43.723 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.464 27.171 42.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 26.692 29.276 42.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 25.777 28.892 41.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 25.074 28.786 43.155 1.00 0.00 H new ATOM 172 N GLY A 11 21.188 26.813 43.221 1.00 0.00 N ATOM 173 CA GLY A 11 20.603 27.998 43.840 1.00 0.00 C ATOM 174 C GLY A 11 19.818 27.629 45.094 1.00 0.00 C ATOM 175 O GLY A 11 19.635 28.456 45.986 1.00 0.00 O ATOM 0 H GLY A 11 21.009 26.729 42.220 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.392 28.706 44.096 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.945 28.497 43.129 1.00 0.00 H new ATOM 179 N SER A 12 19.351 26.384 45.157 1.00 0.00 N ATOM 180 CA SER A 12 18.581 25.906 46.303 1.00 0.00 C ATOM 181 C SER A 12 19.271 26.277 47.611 1.00 0.00 C ATOM 182 O SER A 12 20.358 25.783 47.914 1.00 0.00 O ATOM 183 CB SER A 12 18.411 24.392 46.219 1.00 0.00 C ATOM 184 OG SER A 12 19.547 23.732 46.754 1.00 0.00 O ATOM 0 H SER A 12 19.493 25.687 44.426 1.00 0.00 H new ATOM 0 HA SER A 12 17.601 26.382 46.282 1.00 0.00 H new ATOM 0 HB2 SER A 12 17.517 24.090 46.765 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.266 24.094 45.181 1.00 0.00 H new ATOM 0 HG SER A 12 20.264 24.383 46.903 1.00 0.00 H new ATOM 190 N ASN A 13 18.630 27.148 48.383 1.00 0.00 N ATOM 191 CA ASN A 13 19.175 27.588 49.663 1.00 0.00 C ATOM 192 C ASN A 13 18.261 27.147 50.803 1.00 0.00 C ATOM 193 O ASN A 13 17.506 26.185 50.662 1.00 0.00 O ATOM 194 CB ASN A 13 19.332 29.106 49.662 1.00 0.00 C ATOM 195 CG ASN A 13 20.028 29.562 48.387 1.00 0.00 C ATOM 196 OD1 ASN A 13 21.095 29.058 48.037 1.00 0.00 O ATOM 197 ND2 ASN A 13 19.424 30.517 47.690 1.00 0.00 N ATOM 0 H ASN A 13 17.730 27.564 48.144 1.00 0.00 H new ATOM 0 HA ASN A 13 20.154 27.133 49.811 1.00 0.00 H new ATOM 0 HB2 ASN A 13 18.354 29.580 49.740 1.00 0.00 H new ATOM 0 HB3 ASN A 13 19.909 29.420 50.532 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.844 30.861 46.827 1.00 0.00 H new ATOM 0 HD22 ASN A 13 18.540 30.906 48.018 1.00 0.00 H new ATOM 204 N GLU A 14 18.330 27.849 51.934 1.00 0.00 N ATOM 205 CA GLU A 14 17.505 27.521 53.099 1.00 0.00 C ATOM 206 C GLU A 14 16.062 27.249 52.685 1.00 0.00 C ATOM 207 O GLU A 14 15.587 26.116 52.767 1.00 0.00 O ATOM 208 CB GLU A 14 17.547 28.668 54.104 1.00 0.00 C ATOM 209 CG GLU A 14 17.958 28.176 55.489 1.00 0.00 C ATOM 210 CD GLU A 14 19.308 28.765 55.878 1.00 0.00 C ATOM 211 OE1 GLU A 14 19.479 29.996 55.749 1.00 0.00 O ATOM 212 OE2 GLU A 14 20.191 27.996 56.312 1.00 0.00 O ATOM 0 H GLU A 14 18.948 28.649 52.069 1.00 0.00 H new ATOM 0 HA GLU A 14 17.907 26.619 53.560 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.249 29.428 53.762 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.567 29.142 54.160 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.204 28.461 56.223 1.00 0.00 H new ATOM 0 HG3 GLU A 14 18.013 27.087 55.495 1.00 0.00 H new ATOM 219 N LYS A 15 15.370 28.293 52.239 1.00 0.00 N ATOM 220 CA LYS A 15 13.982 28.163 51.810 1.00 0.00 C ATOM 221 C LYS A 15 13.823 28.656 50.378 1.00 0.00 C ATOM 222 O LYS A 15 12.841 29.319 50.044 1.00 0.00 O ATOM 223 CB LYS A 15 13.070 28.959 52.741 1.00 0.00 C ATOM 224 CG LYS A 15 13.559 30.395 52.905 1.00 0.00 C ATOM 225 CD LYS A 15 13.962 30.680 54.350 1.00 0.00 C ATOM 226 CE LYS A 15 13.720 32.143 54.714 1.00 0.00 C ATOM 227 NZ LYS A 15 13.617 32.323 56.190 1.00 0.00 N ATOM 0 H LYS A 15 15.748 29.238 52.165 1.00 0.00 H new ATOM 0 HA LYS A 15 13.700 27.111 51.851 1.00 0.00 H new ATOM 0 HB2 LYS A 15 12.055 28.962 52.344 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.029 28.473 53.716 1.00 0.00 H new ATOM 0 HG2 LYS A 15 14.410 30.570 52.246 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.773 31.086 52.601 1.00 0.00 H new ATOM 0 HD2 LYS A 15 13.394 30.037 55.022 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.015 30.437 54.491 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.534 32.756 54.326 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.804 32.492 54.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.453 33.327 56.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 12.825 31.756 56.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 14.501 32.012 56.640 1.00 0.00 H new ATOM 241 N HIS A 16 14.795 28.325 49.534 1.00 0.00 N ATOM 242 CA HIS A 16 14.767 28.732 48.132 1.00 0.00 C ATOM 243 C HIS A 16 14.738 27.508 47.225 1.00 0.00 C ATOM 244 O HIS A 16 15.618 26.650 47.297 1.00 0.00 O ATOM 245 CB HIS A 16 15.991 29.586 47.813 1.00 0.00 C ATOM 246 CG HIS A 16 15.756 31.047 48.036 1.00 0.00 C ATOM 247 ND1 HIS A 16 15.436 31.582 49.258 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.795 32.108 47.190 1.00 0.00 C ATOM 249 CE1 HIS A 16 15.286 32.883 49.177 1.00 0.00 C ATOM 250 NE2 HIS A 16 15.499 33.243 47.922 1.00 0.00 N ATOM 0 H HIS A 16 15.613 27.775 49.796 1.00 0.00 H new ATOM 0 HA HIS A 16 13.866 29.319 47.957 1.00 0.00 H new ATOM 0 HB2 HIS A 16 16.827 29.259 48.431 1.00 0.00 H new ATOM 0 HB3 HIS A 16 16.280 29.424 46.775 1.00 0.00 H new ATOM 0 HD2 HIS A 16 16.018 32.072 46.134 1.00 0.00 H new ATOM 0 HE1 HIS A 16 15.033 33.544 49.992 1.00 0.00 H new ATOM 0 HE2 HIS A 16 15.453 34.194 47.557 1.00 0.00 H new ATOM 258 N LEU A 17 13.722 27.432 46.371 1.00 0.00 N ATOM 259 CA LEU A 17 13.577 26.309 45.448 1.00 0.00 C ATOM 260 C LEU A 17 13.959 26.736 44.036 1.00 0.00 C ATOM 261 O LEU A 17 13.156 27.327 43.316 1.00 0.00 O ATOM 262 CB LEU A 17 12.136 25.800 45.473 1.00 0.00 C ATOM 263 CG LEU A 17 12.074 24.272 45.450 1.00 0.00 C ATOM 264 CD1 LEU A 17 12.536 23.735 44.099 1.00 0.00 C ATOM 265 CD2 LEU A 17 12.913 23.678 46.578 1.00 0.00 C ATOM 0 H LEU A 17 12.986 28.135 46.298 1.00 0.00 H new ATOM 0 HA LEU A 17 14.243 25.505 45.761 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.635 26.171 46.367 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.594 26.199 44.615 1.00 0.00 H new ATOM 0 HG LEU A 17 11.037 23.973 45.603 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.484 22.646 44.103 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.891 24.126 43.312 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.563 24.049 43.915 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.854 22.590 46.542 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.951 23.989 46.462 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.534 24.030 47.537 1.00 0.00 H new ATOM 277 N ALA A 18 15.195 26.433 43.649 1.00 0.00 N ATOM 278 CA ALA A 18 15.696 26.786 42.324 1.00 0.00 C ATOM 279 C ALA A 18 15.645 25.581 41.393 1.00 0.00 C ATOM 280 O ALA A 18 16.473 24.675 41.487 1.00 0.00 O ATOM 281 CB ALA A 18 17.130 27.297 42.432 1.00 0.00 C ATOM 0 H ALA A 18 15.870 25.942 44.236 1.00 0.00 H new ATOM 0 HA ALA A 18 15.063 27.571 41.911 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.499 27.559 41.440 1.00 0.00 H new ATOM 0 HB2 ALA A 18 17.155 28.178 43.073 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.762 26.519 42.860 1.00 0.00 H new ATOM 287 N VAL A 19 14.671 25.579 40.487 1.00 0.00 N ATOM 288 CA VAL A 19 14.515 24.488 39.531 1.00 0.00 C ATOM 289 C VAL A 19 15.346 24.760 38.286 1.00 0.00 C ATOM 290 O VAL A 19 16.086 25.740 38.225 1.00 0.00 O ATOM 291 CB VAL A 19 13.045 24.332 39.146 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.192 24.062 40.381 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.548 25.574 38.411 1.00 0.00 C ATOM 0 H VAL A 19 13.978 26.322 40.395 1.00 0.00 H new ATOM 0 HA VAL A 19 14.861 23.565 39.996 1.00 0.00 H new ATOM 0 HB VAL A 19 12.956 23.478 38.475 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.148 23.954 40.086 1.00 0.00 H new ATOM 0 HG12 VAL A 19 12.530 23.144 40.863 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.288 24.894 41.078 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.499 25.444 38.145 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.653 26.446 39.057 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.136 25.721 37.505 1.00 0.00 H new ATOM 303 N LEU A 20 15.215 23.889 37.293 1.00 0.00 N ATOM 304 CA LEU A 20 15.951 24.039 36.044 1.00 0.00 C ATOM 305 C LEU A 20 15.060 23.694 34.858 1.00 0.00 C ATOM 306 O LEU A 20 15.166 22.610 34.284 1.00 0.00 O ATOM 307 CB LEU A 20 17.185 23.144 36.048 1.00 0.00 C ATOM 308 CG LEU A 20 18.294 23.733 35.181 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.592 22.953 35.365 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.877 23.744 33.713 1.00 0.00 C ATOM 0 H LEU A 20 14.606 23.072 37.328 1.00 0.00 H new ATOM 0 HA LEU A 20 16.269 25.078 35.952 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.545 23.020 37.069 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.920 22.152 35.681 1.00 0.00 H new ATOM 0 HG LEU A 20 18.466 24.762 35.497 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.370 23.389 34.738 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.899 22.999 36.410 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.435 21.913 35.078 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.680 24.167 33.110 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.675 22.724 33.384 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.977 24.348 33.595 1.00 0.00 H new ATOM 322 N VAL A 21 14.182 24.623 34.495 1.00 0.00 N ATOM 323 CA VAL A 21 13.269 24.420 33.373 1.00 0.00 C ATOM 324 C VAL A 21 13.962 24.775 32.064 1.00 0.00 C ATOM 325 O VAL A 21 14.202 25.947 31.776 1.00 0.00 O ATOM 326 CB VAL A 21 12.014 25.279 33.543 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.894 24.772 32.638 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.554 25.294 35.001 1.00 0.00 C ATOM 0 H VAL A 21 14.082 25.525 34.961 1.00 0.00 H new ATOM 0 HA VAL A 21 12.977 23.370 33.351 1.00 0.00 H new ATOM 0 HB VAL A 21 12.262 26.300 33.254 1.00 0.00 H new ATOM 0 HG11 VAL A 21 10.009 25.394 32.771 1.00 0.00 H new ATOM 0 HG12 VAL A 21 11.217 24.819 31.598 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.655 23.741 32.898 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.661 25.911 35.094 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.327 24.277 35.322 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.346 25.704 35.628 1.00 0.00 H new ATOM 338 N LYS A 22 14.285 23.756 31.275 1.00 0.00 N ATOM 339 CA LYS A 22 14.953 23.961 29.994 1.00 0.00 C ATOM 340 C LYS A 22 14.949 22.674 29.182 1.00 0.00 C ATOM 341 O LYS A 22 14.998 21.576 29.737 1.00 0.00 O ATOM 342 CB LYS A 22 16.388 24.428 30.223 1.00 0.00 C ATOM 343 CG LYS A 22 16.974 25.056 28.960 1.00 0.00 C ATOM 344 CD LYS A 22 18.013 24.141 28.317 1.00 0.00 C ATOM 345 CE LYS A 22 19.269 24.916 27.930 1.00 0.00 C ATOM 346 NZ LYS A 22 20.497 24.098 28.139 1.00 0.00 N ATOM 0 H LYS A 22 14.095 22.779 31.500 1.00 0.00 H new ATOM 0 HA LYS A 22 14.413 24.727 29.437 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.412 25.153 31.037 1.00 0.00 H new ATOM 0 HB3 LYS A 22 17.003 23.583 30.531 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.174 25.259 28.248 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.432 26.014 29.206 1.00 0.00 H new ATOM 0 HD2 LYS A 22 18.275 23.341 29.010 1.00 0.00 H new ATOM 0 HD3 LYS A 22 17.587 23.669 27.432 1.00 0.00 H new ATOM 0 HE2 LYS A 22 19.205 25.218 26.885 1.00 0.00 H new ATOM 0 HE3 LYS A 22 19.332 25.829 28.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 21.334 24.652 27.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 20.570 23.831 29.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 20.446 23.239 27.555 1.00 0.00 H new ATOM 360 N TYR A 23 14.888 22.815 27.862 1.00 0.00 N ATOM 361 CA TYR A 23 14.875 21.664 26.965 1.00 0.00 C ATOM 362 C TYR A 23 14.751 22.125 25.519 1.00 0.00 C ATOM 363 O TYR A 23 13.864 22.908 25.180 1.00 0.00 O ATOM 364 CB TYR A 23 13.712 20.739 27.317 1.00 0.00 C ATOM 365 CG TYR A 23 12.467 21.483 27.716 1.00 0.00 C ATOM 366 CD1 TYR A 23 11.657 22.045 26.747 1.00 0.00 C ATOM 367 CD2 TYR A 23 12.134 21.603 29.052 1.00 0.00 C ATOM 368 CE1 TYR A 23 10.512 22.728 27.116 1.00 0.00 C ATOM 369 CE2 TYR A 23 10.990 22.285 29.420 1.00 0.00 C ATOM 370 CZ TYR A 23 10.183 22.846 28.451 1.00 0.00 C ATOM 371 OH TYR A 23 9.044 23.525 28.817 1.00 0.00 O ATOM 0 H TYR A 23 14.847 23.717 27.388 1.00 0.00 H new ATOM 0 HA TYR A 23 15.811 21.119 27.082 1.00 0.00 H new ATOM 0 HB2 TYR A 23 13.489 20.103 26.460 1.00 0.00 H new ATOM 0 HB3 TYR A 23 14.012 20.081 28.133 1.00 0.00 H new ATOM 0 HD1 TYR A 23 11.918 21.951 25.703 1.00 0.00 H new ATOM 0 HD2 TYR A 23 12.768 21.164 29.808 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.877 23.168 26.361 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.728 22.379 30.464 1.00 0.00 H new ATOM 0 HH TYR A 23 8.620 23.068 29.573 1.00 0.00 H new ATOM 381 N GLU A 24 15.648 21.636 24.668 1.00 0.00 N ATOM 382 CA GLU A 24 15.642 22.000 23.255 1.00 0.00 C ATOM 383 C GLU A 24 14.269 21.749 22.645 1.00 0.00 C ATOM 384 O GLU A 24 13.509 20.909 23.126 1.00 0.00 O ATOM 385 CB GLU A 24 16.698 21.193 22.506 1.00 0.00 C ATOM 386 CG GLU A 24 17.548 22.091 21.612 1.00 0.00 C ATOM 387 CD GLU A 24 18.957 21.525 21.488 1.00 0.00 C ATOM 388 OE1 GLU A 24 19.430 20.891 22.454 1.00 0.00 O ATOM 389 OE2 GLU A 24 19.584 21.717 20.425 1.00 0.00 O ATOM 0 H GLU A 24 16.389 20.986 24.932 1.00 0.00 H new ATOM 0 HA GLU A 24 15.873 23.062 23.168 1.00 0.00 H new ATOM 0 HB2 GLU A 24 17.338 20.676 23.220 1.00 0.00 H new ATOM 0 HB3 GLU A 24 16.213 20.427 21.901 1.00 0.00 H new ATOM 0 HG2 GLU A 24 17.092 22.171 20.625 1.00 0.00 H new ATOM 0 HG3 GLU A 24 17.588 23.098 22.027 1.00 0.00 H new ATOM 396 N GLY A 25 13.956 22.484 21.583 1.00 0.00 N ATOM 397 CA GLY A 25 12.673 22.344 20.904 1.00 0.00 C ATOM 398 C GLY A 25 11.783 23.546 21.188 1.00 0.00 C ATOM 399 O GLY A 25 11.511 24.354 20.300 1.00 0.00 O ATOM 0 H GLY A 25 14.575 23.184 21.173 1.00 0.00 H new ATOM 0 HA2 GLY A 25 12.832 22.248 19.830 1.00 0.00 H new ATOM 0 HA3 GLY A 25 12.178 21.431 21.235 1.00 0.00 H new ATOM 403 N ASP A 26 11.333 23.660 22.433 1.00 0.00 N ATOM 404 CA ASP A 26 10.472 24.765 22.839 1.00 0.00 C ATOM 405 C ASP A 26 11.309 25.895 23.425 1.00 0.00 C ATOM 406 O ASP A 26 12.532 25.790 23.514 1.00 0.00 O ATOM 407 CB ASP A 26 9.456 24.281 23.869 1.00 0.00 C ATOM 408 CG ASP A 26 8.155 23.889 23.180 1.00 0.00 C ATOM 409 OD1 ASP A 26 7.546 24.756 22.519 1.00 0.00 O ATOM 410 OD2 ASP A 26 7.748 22.714 23.301 1.00 0.00 O ATOM 0 H ASP A 26 11.551 23.000 23.179 1.00 0.00 H new ATOM 0 HA ASP A 26 9.941 25.138 21.963 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.859 23.428 24.415 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.266 25.066 24.601 1.00 0.00 H new ATOM 415 N THR A 27 10.646 26.977 23.824 1.00 0.00 N ATOM 416 CA THR A 27 11.337 28.125 24.401 1.00 0.00 C ATOM 417 C THR A 27 10.856 28.378 25.824 1.00 0.00 C ATOM 418 O THR A 27 10.236 27.515 26.445 1.00 0.00 O ATOM 419 CB THR A 27 11.099 29.365 23.545 1.00 0.00 C ATOM 420 OG1 THR A 27 10.479 29.001 22.321 1.00 0.00 O ATOM 421 CG2 THR A 27 12.414 30.090 23.270 1.00 0.00 C ATOM 0 H THR A 27 9.634 27.082 23.758 1.00 0.00 H new ATOM 0 HA THR A 27 12.405 27.908 24.426 1.00 0.00 H new ATOM 0 HB THR A 27 10.440 30.040 24.091 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.548 28.745 22.489 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.222 30.971 22.658 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.866 30.395 24.214 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.094 29.422 22.741 1.00 0.00 H new ATOM 429 N MET A 28 11.150 29.569 26.334 1.00 0.00 N ATOM 430 CA MET A 28 10.756 29.948 27.687 1.00 0.00 C ATOM 431 C MET A 28 10.056 31.299 27.674 1.00 0.00 C ATOM 432 O MET A 28 10.610 32.287 27.193 1.00 0.00 O ATOM 433 CB MET A 28 11.987 30.022 28.578 1.00 0.00 C ATOM 434 CG MET A 28 12.590 28.639 28.808 1.00 0.00 C ATOM 435 SD MET A 28 14.370 28.698 29.065 1.00 0.00 S ATOM 436 CE MET A 28 14.481 29.887 30.412 1.00 0.00 C ATOM 0 H MET A 28 11.662 30.292 25.829 1.00 0.00 H new ATOM 0 HA MET A 28 10.069 29.197 28.076 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.731 30.674 28.120 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.719 30.468 29.536 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.116 28.179 29.675 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.371 28.003 27.950 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.478 29.848 30.850 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.292 30.890 30.029 1.00 0.00 H new ATOM 0 HE3 MET A 28 13.740 29.644 31.174 1.00 0.00 H new ATOM 446 N ALA A 29 8.839 31.340 28.204 1.00 0.00 N ATOM 447 CA ALA A 29 8.069 32.578 28.244 1.00 0.00 C ATOM 448 C ALA A 29 7.537 32.844 29.649 1.00 0.00 C ATOM 449 O ALA A 29 7.820 33.887 30.238 1.00 0.00 O ATOM 450 CB ALA A 29 6.914 32.500 27.252 1.00 0.00 C ATOM 0 H ALA A 29 8.365 30.533 28.611 1.00 0.00 H new ATOM 0 HA ALA A 29 8.726 33.403 27.968 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.342 33.427 27.286 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.308 32.353 26.246 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.265 31.664 27.514 1.00 0.00 H new ATOM 456 N GLU A 30 6.762 31.903 30.184 1.00 0.00 N ATOM 457 CA GLU A 30 6.192 32.057 31.522 1.00 0.00 C ATOM 458 C GLU A 30 6.208 30.734 32.280 1.00 0.00 C ATOM 459 O GLU A 30 6.613 29.702 31.744 1.00 0.00 O ATOM 460 CB GLU A 30 4.762 32.576 31.423 1.00 0.00 C ATOM 461 CG GLU A 30 4.531 33.740 32.382 1.00 0.00 C ATOM 462 CD GLU A 30 3.044 34.052 32.486 1.00 0.00 C ATOM 463 OE1 GLU A 30 2.425 34.357 31.445 1.00 0.00 O ATOM 464 OE2 GLU A 30 2.500 33.991 33.609 1.00 0.00 O ATOM 0 H GLU A 30 6.515 31.031 29.716 1.00 0.00 H new ATOM 0 HA GLU A 30 6.802 32.775 32.070 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.559 32.897 30.401 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.063 31.771 31.649 1.00 0.00 H new ATOM 0 HG2 GLU A 30 4.927 33.493 33.367 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.071 34.620 32.033 1.00 0.00 H new ATOM 471 N VAL A 31 5.763 30.777 33.534 1.00 0.00 N ATOM 472 CA VAL A 31 5.718 29.588 34.387 1.00 0.00 C ATOM 473 C VAL A 31 5.365 29.986 35.817 1.00 0.00 C ATOM 474 O VAL A 31 5.908 30.946 36.363 1.00 0.00 O ATOM 475 CB VAL A 31 7.062 28.827 34.316 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.236 29.792 34.171 1.00 0.00 C ATOM 477 CG2 VAL A 31 7.271 27.906 35.523 1.00 0.00 C ATOM 0 H VAL A 31 5.426 31.627 33.985 1.00 0.00 H new ATOM 0 HA VAL A 31 4.941 28.913 34.028 1.00 0.00 H new ATOM 0 HB VAL A 31 7.019 28.197 33.427 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.167 29.228 34.124 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.118 30.374 33.257 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.262 30.464 35.029 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.228 27.393 35.428 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.266 28.498 36.438 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.468 27.170 35.563 1.00 0.00 H new ATOM 487 N GLU A 32 4.440 29.237 36.409 1.00 0.00 N ATOM 488 CA GLU A 32 3.990 29.498 37.770 1.00 0.00 C ATOM 489 C GLU A 32 4.179 28.263 38.645 1.00 0.00 C ATOM 490 O GLU A 32 4.319 27.148 38.142 1.00 0.00 O ATOM 491 CB GLU A 32 2.518 29.908 37.754 1.00 0.00 C ATOM 492 CG GLU A 32 1.612 28.739 37.369 1.00 0.00 C ATOM 493 CD GLU A 32 0.732 29.122 36.187 1.00 0.00 C ATOM 494 OE1 GLU A 32 1.284 29.447 35.115 1.00 0.00 O ATOM 495 OE2 GLU A 32 -0.508 29.098 36.335 1.00 0.00 O ATOM 0 H GLU A 32 3.986 28.440 35.963 1.00 0.00 H new ATOM 0 HA GLU A 32 4.587 30.309 38.187 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.233 30.281 38.738 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.376 30.727 37.049 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.217 27.869 37.114 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.990 28.457 38.218 1.00 0.00 H new ATOM 502 N LEU A 33 4.178 28.472 39.957 1.00 0.00 N ATOM 503 CA LEU A 33 4.344 27.381 40.909 1.00 0.00 C ATOM 504 C LEU A 33 3.041 27.123 41.652 1.00 0.00 C ATOM 505 O LEU A 33 2.210 28.019 41.799 1.00 0.00 O ATOM 506 CB LEU A 33 5.444 27.726 41.908 1.00 0.00 C ATOM 507 CG LEU A 33 6.671 26.844 41.707 1.00 0.00 C ATOM 508 CD1 LEU A 33 7.787 27.252 42.663 1.00 0.00 C ATOM 509 CD2 LEU A 33 6.311 25.374 41.904 1.00 0.00 C ATOM 0 H LEU A 33 4.064 29.390 40.386 1.00 0.00 H new ATOM 0 HA LEU A 33 4.622 26.481 40.361 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.724 28.773 41.796 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.068 27.603 42.924 1.00 0.00 H new ATOM 0 HG LEU A 33 7.027 26.979 40.685 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.654 26.611 42.505 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.064 28.290 42.477 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.442 27.147 43.691 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.199 24.759 41.757 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.930 25.225 42.914 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.547 25.087 41.182 1.00 0.00 H new ATOM 521 N ARG A 34 2.873 25.896 42.127 1.00 0.00 N ATOM 522 CA ARG A 34 1.676 25.517 42.867 1.00 0.00 C ATOM 523 C ARG A 34 2.065 24.893 44.199 1.00 0.00 C ATOM 524 O ARG A 34 3.200 25.040 44.652 1.00 0.00 O ATOM 525 CB ARG A 34 0.842 24.534 42.051 1.00 0.00 C ATOM 526 CG ARG A 34 -0.645 24.867 42.137 1.00 0.00 C ATOM 527 CD ARG A 34 -1.497 23.601 42.157 1.00 0.00 C ATOM 528 NE ARG A 34 -2.634 23.740 41.252 1.00 0.00 N ATOM 529 CZ ARG A 34 -3.667 22.905 41.295 1.00 0.00 C ATOM 530 NH1 ARG A 34 -3.492 21.616 41.036 1.00 0.00 N ATOM 531 NH2 ARG A 34 -4.876 23.358 41.596 1.00 0.00 N ATOM 0 H ARG A 34 3.553 25.144 42.013 1.00 0.00 H new ATOM 0 HA ARG A 34 1.080 26.410 43.055 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.163 24.558 41.010 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.012 23.520 42.414 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.837 25.452 43.037 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.931 25.487 41.287 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.892 22.743 41.863 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.851 23.409 43.170 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.636 24.498 40.569 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.563 21.264 40.803 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.286 20.977 41.070 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -5.014 24.349 41.795 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.668 22.716 41.629 1.00 0.00 H new ATOM 545 N GLU A 35 1.123 24.197 44.823 1.00 0.00 N ATOM 546 CA GLU A 35 1.373 23.551 46.105 1.00 0.00 C ATOM 547 C GLU A 35 0.103 22.897 46.618 1.00 0.00 C ATOM 548 O GLU A 35 -0.821 23.577 47.065 1.00 0.00 O ATOM 549 CB GLU A 35 1.872 24.574 47.119 1.00 0.00 C ATOM 550 CG GLU A 35 3.387 24.513 47.267 1.00 0.00 C ATOM 551 CD GLU A 35 3.760 23.838 48.579 1.00 0.00 C ATOM 552 OE1 GLU A 35 2.982 23.952 49.549 1.00 0.00 O ATOM 553 OE2 GLU A 35 4.829 23.195 48.635 1.00 0.00 O ATOM 0 H GLU A 35 0.178 24.065 44.462 1.00 0.00 H new ATOM 0 HA GLU A 35 2.136 22.785 45.967 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.575 25.575 46.805 1.00 0.00 H new ATOM 0 HB3 GLU A 35 1.402 24.390 48.085 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.820 23.963 46.431 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.804 25.520 47.236 1.00 0.00 H new ATOM 560 N HIS A 36 0.059 21.572 46.554 1.00 0.00 N ATOM 561 CA HIS A 36 -1.104 20.824 47.014 1.00 0.00 C ATOM 562 C HIS A 36 -1.484 21.257 48.424 1.00 0.00 C ATOM 563 O HIS A 36 -0.931 20.767 49.409 1.00 0.00 O ATOM 564 CB HIS A 36 -0.806 19.332 46.991 1.00 0.00 C ATOM 565 CG HIS A 36 -1.854 18.542 46.271 1.00 0.00 C ATOM 566 ND1 HIS A 36 -2.181 17.252 46.597 1.00 0.00 N ATOM 567 CD2 HIS A 36 -2.667 18.856 45.229 1.00 0.00 C ATOM 568 CE1 HIS A 36 -3.130 16.794 45.814 1.00 0.00 C ATOM 569 NE2 HIS A 36 -3.454 17.751 44.960 1.00 0.00 N ATOM 0 H HIS A 36 0.815 20.993 46.188 1.00 0.00 H new ATOM 0 HA HIS A 36 -1.940 21.030 46.346 1.00 0.00 H new ATOM 0 HB2 HIS A 36 0.160 19.166 46.513 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -0.722 18.967 48.015 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.694 19.800 44.704 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.569 15.808 45.859 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -4.162 17.685 44.229 1.00 0.00 H new ATOM 577 N GLY A 37 -2.427 22.185 48.509 1.00 0.00 N ATOM 578 CA GLY A 37 -2.886 22.701 49.792 1.00 0.00 C ATOM 579 C GLY A 37 -2.787 24.221 49.818 1.00 0.00 C ATOM 580 O GLY A 37 -3.595 24.895 50.458 1.00 0.00 O ATOM 0 H GLY A 37 -2.891 22.598 47.700 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.917 22.394 49.967 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.286 22.277 50.597 1.00 0.00 H new ATOM 584 N SER A 38 -1.793 24.756 49.114 1.00 0.00 N ATOM 585 CA SER A 38 -1.586 26.200 49.049 1.00 0.00 C ATOM 586 C SER A 38 -2.838 26.893 48.525 1.00 0.00 C ATOM 587 O SER A 38 -3.073 28.067 48.810 1.00 0.00 O ATOM 588 CB SER A 38 -0.401 26.518 48.142 1.00 0.00 C ATOM 589 OG SER A 38 -0.149 27.914 48.124 1.00 0.00 O ATOM 0 H SER A 38 -1.117 24.210 48.580 1.00 0.00 H new ATOM 0 HA SER A 38 -1.376 26.566 50.054 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.485 25.987 48.491 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.605 26.166 47.131 1.00 0.00 H new ATOM 0 HG SER A 38 0.615 28.101 47.539 1.00 0.00 H new ATOM 595 N ASP A 39 -3.641 26.159 47.756 1.00 0.00 N ATOM 596 CA ASP A 39 -4.875 26.698 47.187 1.00 0.00 C ATOM 597 C ASP A 39 -4.568 27.617 46.011 1.00 0.00 C ATOM 598 O ASP A 39 -4.259 28.794 46.194 1.00 0.00 O ATOM 599 CB ASP A 39 -5.664 27.461 48.252 1.00 0.00 C ATOM 600 CG ASP A 39 -7.125 27.032 48.234 1.00 0.00 C ATOM 601 OD1 ASP A 39 -7.765 27.142 47.168 1.00 0.00 O ATOM 602 OD2 ASP A 39 -7.628 26.587 49.288 1.00 0.00 O ATOM 0 H ASP A 39 -3.458 25.186 47.512 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.478 25.863 46.830 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.235 27.274 49.236 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.590 28.533 48.071 1.00 0.00 H new ATOM 607 N GLU A 40 -4.662 27.069 44.801 1.00 0.00 N ATOM 608 CA GLU A 40 -4.404 27.831 43.579 1.00 0.00 C ATOM 609 C GLU A 40 -2.914 28.108 43.416 1.00 0.00 C ATOM 610 O GLU A 40 -2.152 28.052 44.381 1.00 0.00 O ATOM 611 CB GLU A 40 -5.179 29.147 43.607 1.00 0.00 C ATOM 612 CG GLU A 40 -6.261 29.176 42.531 1.00 0.00 C ATOM 613 CD GLU A 40 -7.366 30.147 42.923 1.00 0.00 C ATOM 614 OE1 GLU A 40 -7.066 31.143 43.614 1.00 0.00 O ATOM 615 OE2 GLU A 40 -8.531 29.910 42.539 1.00 0.00 O ATOM 0 H GLU A 40 -4.916 26.095 44.640 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.738 27.236 42.729 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.635 29.282 44.588 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.492 29.980 43.457 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.827 29.474 41.576 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.676 28.177 42.395 1.00 0.00 H new ATOM 622 N TRP A 41 -2.508 28.405 42.184 1.00 0.00 N ATOM 623 CA TRP A 41 -1.109 28.691 41.880 1.00 0.00 C ATOM 624 C TRP A 41 -0.658 29.959 42.594 1.00 0.00 C ATOM 625 O TRP A 41 -1.479 30.708 43.122 1.00 0.00 O ATOM 626 CB TRP A 41 -0.928 28.847 40.372 1.00 0.00 C ATOM 627 CG TRP A 41 -1.472 27.680 39.604 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.774 27.478 39.234 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.729 26.546 39.110 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.858 26.296 38.551 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.637 25.703 38.457 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.614 26.164 39.157 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -1.244 24.514 37.865 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.014 24.974 38.565 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.093 24.156 37.925 1.00 0.00 C ATOM 0 H TRP A 41 -3.131 28.454 41.378 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.497 27.860 42.230 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -1.426 29.759 40.042 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.132 28.964 40.147 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.599 28.142 39.446 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.720 25.911 38.164 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.339 26.793 39.653 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.964 23.880 37.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.053 24.681 38.603 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.421 23.233 37.470 1.00 0.00 H new ATOM 646 N VAL A 42 0.652 30.192 42.615 1.00 0.00 N ATOM 647 CA VAL A 42 1.206 31.372 43.277 1.00 0.00 C ATOM 648 C VAL A 42 2.272 32.059 42.419 1.00 0.00 C ATOM 649 O VAL A 42 2.870 33.044 42.851 1.00 0.00 O ATOM 650 CB VAL A 42 1.810 30.971 44.619 1.00 0.00 C ATOM 651 CG1 VAL A 42 0.711 30.601 45.611 1.00 0.00 C ATOM 652 CG2 VAL A 42 2.784 29.809 44.443 1.00 0.00 C ATOM 0 H VAL A 42 1.347 29.583 42.184 1.00 0.00 H new ATOM 0 HA VAL A 42 0.392 32.081 43.429 1.00 0.00 H new ATOM 0 HB VAL A 42 2.360 31.824 45.016 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.160 30.318 46.563 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.053 31.457 45.761 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.134 29.764 45.219 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.205 29.537 45.411 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.257 28.953 44.023 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.587 30.106 43.769 1.00 0.00 H new ATOM 662 N ALA A 43 2.499 31.556 41.205 1.00 0.00 N ATOM 663 CA ALA A 43 3.483 32.142 40.302 1.00 0.00 C ATOM 664 C ALA A 43 4.880 32.122 40.916 1.00 0.00 C ATOM 665 O ALA A 43 5.058 32.401 42.101 1.00 0.00 O ATOM 666 CB ALA A 43 3.069 33.566 39.978 1.00 0.00 C ATOM 0 H ALA A 43 2.013 30.743 40.827 1.00 0.00 H new ATOM 0 HA ALA A 43 3.519 31.550 39.388 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.799 34.013 39.303 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.089 33.560 39.500 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.021 34.149 40.898 1.00 0.00 H new ATOM 672 N MET A 44 5.872 31.791 40.096 1.00 0.00 N ATOM 673 CA MET A 44 7.257 31.735 40.549 1.00 0.00 C ATOM 674 C MET A 44 7.807 33.141 40.748 1.00 0.00 C ATOM 675 O MET A 44 7.064 34.122 40.701 1.00 0.00 O ATOM 676 CB MET A 44 8.106 30.990 39.525 1.00 0.00 C ATOM 677 CG MET A 44 8.427 29.577 39.998 1.00 0.00 C ATOM 678 SD MET A 44 10.138 29.406 40.534 1.00 0.00 S ATOM 679 CE MET A 44 10.465 27.690 40.100 1.00 0.00 C ATOM 0 H MET A 44 5.742 31.557 39.112 1.00 0.00 H new ATOM 0 HA MET A 44 7.292 31.206 41.501 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.577 30.946 38.573 1.00 0.00 H new ATOM 0 HB3 MET A 44 9.032 31.537 39.350 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.763 29.312 40.821 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.230 28.872 39.190 1.00 0.00 H new ATOM 0 HE1 MET A 44 11.457 27.408 40.452 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.719 27.048 40.568 1.00 0.00 H new ATOM 0 HE3 MET A 44 10.417 27.573 39.017 1.00 0.00 H new ATOM 689 N THR A 45 9.114 33.232 40.967 1.00 0.00 N ATOM 690 CA THR A 45 9.772 34.519 41.170 1.00 0.00 C ATOM 691 C THR A 45 11.151 34.510 40.526 1.00 0.00 C ATOM 692 O THR A 45 12.056 33.813 40.986 1.00 0.00 O ATOM 693 CB THR A 45 9.897 34.812 42.663 1.00 0.00 C ATOM 694 OG1 THR A 45 8.623 34.731 43.282 1.00 0.00 O ATOM 695 CG2 THR A 45 10.503 36.193 42.894 1.00 0.00 C ATOM 0 H THR A 45 9.741 32.428 41.009 1.00 0.00 H new ATOM 0 HA THR A 45 9.170 35.299 40.704 1.00 0.00 H new ATOM 0 HB THR A 45 10.558 34.067 43.106 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.712 34.919 44.240 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.583 36.381 43.965 1.00 0.00 H new ATOM 0 HG22 THR A 45 11.495 36.235 42.443 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.865 36.951 42.439 1.00 0.00 H new ATOM 703 N LYS A 46 11.306 35.285 39.458 1.00 0.00 N ATOM 704 CA LYS A 46 12.578 35.366 38.746 1.00 0.00 C ATOM 705 C LYS A 46 13.663 35.923 39.659 1.00 0.00 C ATOM 706 O LYS A 46 14.010 37.101 39.581 1.00 0.00 O ATOM 707 CB LYS A 46 12.429 36.256 37.515 1.00 0.00 C ATOM 708 CG LYS A 46 11.771 37.585 37.874 1.00 0.00 C ATOM 709 CD LYS A 46 12.620 38.764 37.409 1.00 0.00 C ATOM 710 CE LYS A 46 12.708 38.815 35.887 1.00 0.00 C ATOM 711 NZ LYS A 46 13.494 39.996 35.430 1.00 0.00 N ATOM 0 H LYS A 46 10.566 35.867 39.065 1.00 0.00 H new ATOM 0 HA LYS A 46 12.866 34.363 38.431 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.409 36.439 37.074 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.832 35.743 36.762 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.784 37.641 37.415 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.625 37.642 38.953 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.191 39.694 37.782 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.622 38.683 37.831 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.172 37.901 35.516 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.704 38.857 35.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.536 40.004 34.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.036 40.868 35.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.458 39.941 35.815 1.00 0.00 H new ATOM 725 N GLY A 47 14.195 35.068 40.526 1.00 0.00 N ATOM 726 CA GLY A 47 15.242 35.474 41.457 1.00 0.00 C ATOM 727 C GLY A 47 16.614 35.077 40.930 1.00 0.00 C ATOM 728 O GLY A 47 17.620 35.707 41.258 1.00 0.00 O ATOM 0 H GLY A 47 13.918 34.089 40.604 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.203 36.553 41.608 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.072 35.010 42.428 1.00 0.00 H new ATOM 732 N GLU A 48 16.650 34.030 40.113 1.00 0.00 N ATOM 733 CA GLU A 48 17.900 33.549 39.542 1.00 0.00 C ATOM 734 C GLU A 48 18.214 34.290 38.251 1.00 0.00 C ATOM 735 O GLU A 48 17.534 35.253 37.894 1.00 0.00 O ATOM 736 CB GLU A 48 17.801 32.053 39.270 1.00 0.00 C ATOM 737 CG GLU A 48 18.544 31.250 40.335 1.00 0.00 C ATOM 738 CD GLU A 48 19.987 31.015 39.907 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.599 31.944 39.339 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.504 29.902 40.142 1.00 0.00 O ATOM 0 H GLU A 48 15.826 33.498 39.832 1.00 0.00 H new ATOM 0 HA GLU A 48 18.704 33.733 40.254 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.753 31.753 39.249 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.216 31.831 38.287 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.521 31.784 41.285 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.044 30.294 40.495 1.00 0.00 H new ATOM 747 N GLY A 49 19.248 33.836 37.555 1.00 0.00 N ATOM 748 CA GLY A 49 19.657 34.453 36.299 1.00 0.00 C ATOM 749 C GLY A 49 19.379 33.525 35.125 1.00 0.00 C ATOM 750 O GLY A 49 19.221 33.977 33.990 1.00 0.00 O ATOM 0 H GLY A 49 19.820 33.041 37.839 1.00 0.00 H new ATOM 0 HA2 GLY A 49 19.123 35.393 36.160 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.720 34.692 36.335 1.00 0.00 H new ATOM 754 N GLY A 50 19.324 32.225 35.398 1.00 0.00 N ATOM 755 CA GLY A 50 19.071 31.238 34.354 1.00 0.00 C ATOM 756 C GLY A 50 17.945 30.278 34.736 1.00 0.00 C ATOM 757 O GLY A 50 17.590 29.398 33.952 1.00 0.00 O ATOM 0 H GLY A 50 19.451 31.831 36.330 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.813 31.749 33.427 1.00 0.00 H new ATOM 0 HA3 GLY A 50 19.982 30.671 34.163 1.00 0.00 H new ATOM 761 N VAL A 51 17.381 30.437 35.933 1.00 0.00 N ATOM 762 CA VAL A 51 16.300 29.562 36.376 1.00 0.00 C ATOM 763 C VAL A 51 15.312 30.324 37.248 1.00 0.00 C ATOM 764 O VAL A 51 15.489 31.512 37.515 1.00 0.00 O ATOM 765 CB VAL A 51 16.868 28.375 37.146 1.00 0.00 C ATOM 766 CG1 VAL A 51 17.649 27.458 36.209 1.00 0.00 C ATOM 767 CG2 VAL A 51 17.756 28.852 38.292 1.00 0.00 C ATOM 0 H VAL A 51 17.652 31.155 36.605 1.00 0.00 H new ATOM 0 HA VAL A 51 15.772 29.196 35.495 1.00 0.00 H new ATOM 0 HB VAL A 51 16.038 27.810 37.570 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.048 26.615 36.774 1.00 0.00 H new ATOM 0 HG12 VAL A 51 16.987 27.089 35.426 1.00 0.00 H new ATOM 0 HG13 VAL A 51 18.471 28.014 35.757 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.151 27.990 38.829 1.00 0.00 H new ATOM 0 HG22 VAL A 51 18.582 29.440 37.892 1.00 0.00 H new ATOM 0 HG23 VAL A 51 17.170 29.467 38.975 1.00 0.00 H new ATOM 777 N TRP A 52 14.263 29.631 37.680 1.00 0.00 N ATOM 778 CA TRP A 52 13.233 30.236 38.515 1.00 0.00 C ATOM 779 C TRP A 52 13.372 29.769 39.959 1.00 0.00 C ATOM 780 O TRP A 52 13.676 28.605 40.219 1.00 0.00 O ATOM 781 CB TRP A 52 11.858 29.864 37.972 1.00 0.00 C ATOM 782 CG TRP A 52 11.791 29.958 36.479 1.00 0.00 C ATOM 783 CD1 TRP A 52 11.321 29.007 35.618 1.00 0.00 C ATOM 784 CD2 TRP A 52 12.220 31.068 35.666 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.432 29.479 34.339 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.974 30.727 34.330 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.785 32.316 35.940 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.272 31.586 33.286 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.086 33.180 34.897 1.00 0.00 C ATOM 790 CH2 TRP A 52 12.831 32.817 33.581 1.00 0.00 C ATOM 0 H TRP A 52 14.104 28.647 37.464 1.00 0.00 H new ATOM 0 HA TRP A 52 13.350 31.320 38.494 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.611 28.848 38.281 1.00 0.00 H new ATOM 0 HB3 TRP A 52 11.107 30.522 38.409 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.927 28.042 35.901 1.00 0.00 H new ATOM 0 HE1 TRP A 52 11.147 28.965 33.505 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.987 32.607 36.960 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.073 31.302 32.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.523 34.144 35.111 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.071 33.501 32.781 1.00 0.00 H new ATOM 801 N THR A 53 13.148 30.686 40.895 1.00 0.00 N ATOM 802 CA THR A 53 13.248 30.372 42.317 1.00 0.00 C ATOM 803 C THR A 53 11.964 30.763 43.037 1.00 0.00 C ATOM 804 O THR A 53 11.160 31.536 42.516 1.00 0.00 O ATOM 805 CB THR A 53 14.435 31.109 42.930 1.00 0.00 C ATOM 806 OG1 THR A 53 14.460 32.453 42.474 1.00 0.00 O ATOM 807 CG2 THR A 53 15.746 30.413 42.575 1.00 0.00 C ATOM 0 H THR A 53 12.896 31.654 40.694 1.00 0.00 H new ATOM 0 HA THR A 53 13.398 29.298 42.429 1.00 0.00 H new ATOM 0 HB THR A 53 14.323 31.100 44.014 1.00 0.00 H new ATOM 0 HG1 THR A 53 15.304 32.874 42.741 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.579 30.956 43.022 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.731 29.392 42.957 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.866 30.393 41.492 1.00 0.00 H new ATOM 815 N PHE A 54 11.775 30.223 44.237 1.00 0.00 N ATOM 816 CA PHE A 54 10.584 30.514 45.030 1.00 0.00 C ATOM 817 C PHE A 54 10.963 30.807 46.475 1.00 0.00 C ATOM 818 O PHE A 54 12.063 30.477 46.919 1.00 0.00 O ATOM 819 CB PHE A 54 9.622 29.330 44.976 1.00 0.00 C ATOM 820 CG PHE A 54 8.257 29.653 45.529 1.00 0.00 C ATOM 821 CD1 PHE A 54 7.405 30.492 44.829 1.00 0.00 C ATOM 822 CD2 PHE A 54 7.852 29.110 46.738 1.00 0.00 C ATOM 823 CE1 PHE A 54 6.151 30.787 45.337 1.00 0.00 C ATOM 824 CE2 PHE A 54 6.598 29.405 47.245 1.00 0.00 C ATOM 825 CZ PHE A 54 5.747 30.243 46.545 1.00 0.00 C ATOM 0 H PHE A 54 12.431 29.581 44.682 1.00 0.00 H new ATOM 0 HA PHE A 54 10.095 31.394 44.613 1.00 0.00 H new ATOM 0 HB2 PHE A 54 9.520 28.999 43.943 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.047 28.498 45.537 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.719 30.916 43.887 1.00 0.00 H new ATOM 0 HD2 PHE A 54 8.515 28.456 47.285 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.488 31.442 44.791 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.283 28.981 48.187 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.769 30.472 46.941 1.00 0.00 H new ATOM 835 N ASP A 55 10.043 31.428 47.208 1.00 0.00 N ATOM 836 CA ASP A 55 10.275 31.766 48.608 1.00 0.00 C ATOM 837 C ASP A 55 9.356 30.949 49.506 1.00 0.00 C ATOM 838 O ASP A 55 8.203 30.693 49.160 1.00 0.00 O ATOM 839 CB ASP A 55 10.031 33.255 48.836 1.00 0.00 C ATOM 840 CG ASP A 55 11.140 34.076 48.191 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.191 34.269 48.837 1.00 0.00 O ATOM 842 OD2 ASP A 55 10.955 34.526 47.041 1.00 0.00 O ATOM 0 H ASP A 55 9.128 31.708 46.854 1.00 0.00 H new ATOM 0 HA ASP A 55 11.311 31.533 48.856 1.00 0.00 H new ATOM 0 HB2 ASP A 55 9.066 33.541 48.417 1.00 0.00 H new ATOM 0 HB3 ASP A 55 9.989 33.464 49.905 1.00 0.00 H new ATOM 847 N SER A 56 9.872 30.543 50.661 1.00 0.00 N ATOM 848 CA SER A 56 9.095 29.754 51.612 1.00 0.00 C ATOM 849 C SER A 56 9.262 30.307 53.021 1.00 0.00 C ATOM 850 O SER A 56 9.993 31.273 53.238 1.00 0.00 O ATOM 851 CB SER A 56 9.544 28.297 51.568 1.00 0.00 C ATOM 852 OG SER A 56 8.422 27.429 51.608 1.00 0.00 O ATOM 0 H SER A 56 10.825 30.747 50.962 1.00 0.00 H new ATOM 0 HA SER A 56 8.042 29.812 51.337 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.120 28.115 50.660 1.00 0.00 H new ATOM 0 HB3 SER A 56 10.203 28.088 52.411 1.00 0.00 H new ATOM 0 HG SER A 56 8.727 26.498 51.577 1.00 0.00 H new ATOM 858 N GLU A 57 8.578 29.686 53.978 1.00 0.00 N ATOM 859 CA GLU A 57 8.648 30.113 55.371 1.00 0.00 C ATOM 860 C GLU A 57 9.082 28.954 56.259 1.00 0.00 C ATOM 861 O GLU A 57 8.758 28.912 57.446 1.00 0.00 O ATOM 862 CB GLU A 57 7.287 30.634 55.825 1.00 0.00 C ATOM 863 CG GLU A 57 7.392 32.056 56.369 1.00 0.00 C ATOM 864 CD GLU A 57 7.499 32.031 57.888 1.00 0.00 C ATOM 865 OE1 GLU A 57 8.175 31.127 58.422 1.00 0.00 O ATOM 866 OE2 GLU A 57 6.907 32.916 58.541 1.00 0.00 O ATOM 0 H GLU A 57 7.969 28.885 53.813 1.00 0.00 H new ATOM 0 HA GLU A 57 9.383 30.913 55.455 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.589 30.613 54.988 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.882 29.977 56.594 1.00 0.00 H new ATOM 0 HG2 GLU A 57 8.264 32.552 55.944 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.518 32.634 56.068 1.00 0.00 H new ATOM 873 N GLU A 58 9.819 28.012 55.677 1.00 0.00 N ATOM 874 CA GLU A 58 10.301 26.849 56.415 1.00 0.00 C ATOM 875 C GLU A 58 11.293 26.060 55.568 1.00 0.00 C ATOM 876 O GLU A 58 11.268 26.134 54.340 1.00 0.00 O ATOM 877 CB GLU A 58 9.128 25.956 56.810 1.00 0.00 C ATOM 878 CG GLU A 58 8.435 25.376 55.581 1.00 0.00 C ATOM 879 CD GLU A 58 6.949 25.712 55.606 1.00 0.00 C ATOM 880 OE1 GLU A 58 6.380 25.809 56.714 1.00 0.00 O ATOM 881 OE2 GLU A 58 6.358 25.879 54.519 1.00 0.00 O ATOM 0 H GLU A 58 10.096 28.032 54.695 1.00 0.00 H new ATOM 0 HA GLU A 58 10.805 27.193 57.318 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.483 25.145 57.446 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.412 26.531 57.397 1.00 0.00 H new ATOM 0 HG2 GLU A 58 8.890 25.776 54.675 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.570 24.295 55.555 1.00 0.00 H new ATOM 888 N PRO A 59 12.185 25.294 56.218 1.00 0.00 N ATOM 889 CA PRO A 59 13.198 24.487 55.520 1.00 0.00 C ATOM 890 C PRO A 59 12.591 23.280 54.814 1.00 0.00 C ATOM 891 O PRO A 59 13.037 22.890 53.736 1.00 0.00 O ATOM 892 CB PRO A 59 14.136 24.038 56.632 1.00 0.00 C ATOM 893 CG PRO A 59 13.316 24.068 57.874 1.00 0.00 C ATOM 894 CD PRO A 59 12.288 25.151 57.681 1.00 0.00 C ATOM 0 HA PRO A 59 13.696 25.056 54.735 1.00 0.00 H new ATOM 0 HB2 PRO A 59 14.523 23.037 56.440 1.00 0.00 H new ATOM 0 HB3 PRO A 59 14.997 24.702 56.713 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.837 23.104 58.046 1.00 0.00 H new ATOM 0 HG3 PRO A 59 13.938 24.274 58.745 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.331 24.875 58.123 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.599 26.084 58.152 1.00 0.00 H new ATOM 902 N LEU A 60 11.577 22.687 55.434 1.00 0.00 N ATOM 903 CA LEU A 60 10.913 21.516 54.871 1.00 0.00 C ATOM 904 C LEU A 60 10.000 21.915 53.720 1.00 0.00 C ATOM 905 O LEU A 60 9.433 23.008 53.713 1.00 0.00 O ATOM 906 CB LEU A 60 10.105 20.810 55.955 1.00 0.00 C ATOM 907 CG LEU A 60 10.951 20.567 57.202 1.00 0.00 C ATOM 908 CD1 LEU A 60 10.263 21.144 58.435 1.00 0.00 C ATOM 909 CD2 LEU A 60 11.219 19.076 57.383 1.00 0.00 C ATOM 0 H LEU A 60 11.196 22.998 56.328 1.00 0.00 H new ATOM 0 HA LEU A 60 11.674 20.837 54.487 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.235 21.413 56.214 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.732 19.859 55.574 1.00 0.00 H new ATOM 0 HG LEU A 60 11.908 21.074 57.075 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.880 20.962 59.315 1.00 0.00 H new ATOM 0 HD12 LEU A 60 10.124 22.217 58.305 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.292 20.666 58.567 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.823 18.921 58.277 1.00 0.00 H new ATOM 0 HD22 LEU A 60 10.272 18.546 57.489 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.753 18.694 56.513 1.00 0.00 H new ATOM 921 N GLN A 61 9.862 21.019 52.748 1.00 0.00 N ATOM 922 CA GLN A 61 9.017 21.270 51.585 1.00 0.00 C ATOM 923 C GLN A 61 8.403 19.966 51.089 1.00 0.00 C ATOM 924 O GLN A 61 8.562 18.917 51.713 1.00 0.00 O ATOM 925 CB GLN A 61 9.838 21.914 50.473 1.00 0.00 C ATOM 926 CG GLN A 61 9.778 23.437 50.553 1.00 0.00 C ATOM 927 CD GLN A 61 11.160 24.033 50.322 1.00 0.00 C ATOM 928 OE1 GLN A 61 12.145 23.590 50.912 1.00 0.00 O ATOM 929 NE2 GLN A 61 11.234 25.042 49.461 1.00 0.00 N ATOM 0 H GLN A 61 10.326 20.110 52.743 1.00 0.00 H new ATOM 0 HA GLN A 61 8.215 21.949 51.874 1.00 0.00 H new ATOM 0 HB2 GLN A 61 10.874 21.584 50.545 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.465 21.583 49.504 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.080 23.820 49.808 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.401 23.742 51.529 1.00 0.00 H new ATOM 0 HE21 GLN A 61 10.391 25.377 48.994 1.00 0.00 H new ATOM 0 HE22 GLN A 61 12.134 25.482 49.267 1.00 0.00 H new ATOM 938 N GLY A 62 7.700 20.038 49.963 1.00 0.00 N ATOM 939 CA GLY A 62 7.061 18.862 49.382 1.00 0.00 C ATOM 940 C GLY A 62 7.090 18.929 47.858 1.00 0.00 C ATOM 941 O GLY A 62 8.012 19.495 47.272 1.00 0.00 O ATOM 0 H GLY A 62 7.558 20.899 49.434 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.571 17.960 49.721 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.030 18.794 49.728 1.00 0.00 H new ATOM 945 N PRO A 63 6.073 18.350 47.196 1.00 0.00 N ATOM 946 CA PRO A 63 5.983 18.348 45.731 1.00 0.00 C ATOM 947 C PRO A 63 5.495 19.688 45.192 1.00 0.00 C ATOM 948 O PRO A 63 4.863 20.462 45.910 1.00 0.00 O ATOM 949 CB PRO A 63 4.980 17.245 45.425 1.00 0.00 C ATOM 950 CG PRO A 63 4.131 17.120 46.650 1.00 0.00 C ATOM 951 CD PRO A 63 4.931 17.658 47.816 1.00 0.00 C ATOM 0 HA PRO A 63 6.953 18.184 45.262 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.375 17.496 44.553 1.00 0.00 H new ATOM 0 HB3 PRO A 63 5.486 16.306 45.202 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.203 17.679 46.532 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.856 16.079 46.821 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.336 18.340 48.423 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.264 16.854 48.473 1.00 0.00 H new ATOM 959 N PHE A 64 5.795 19.959 43.926 1.00 0.00 N ATOM 960 CA PHE A 64 5.388 21.210 43.297 1.00 0.00 C ATOM 961 C PHE A 64 4.739 20.949 41.946 1.00 0.00 C ATOM 962 O PHE A 64 4.762 19.829 41.436 1.00 0.00 O ATOM 963 CB PHE A 64 6.598 22.121 43.113 1.00 0.00 C ATOM 964 CG PHE A 64 7.245 22.525 44.414 1.00 0.00 C ATOM 965 CD1 PHE A 64 6.629 23.454 45.236 1.00 0.00 C ATOM 966 CD2 PHE A 64 8.458 21.970 44.786 1.00 0.00 C ATOM 967 CE1 PHE A 64 7.225 23.828 46.429 1.00 0.00 C ATOM 968 CE2 PHE A 64 9.055 22.343 45.979 1.00 0.00 C ATOM 969 CZ PHE A 64 8.438 23.273 46.800 1.00 0.00 C ATOM 0 H PHE A 64 6.318 19.330 43.316 1.00 0.00 H new ATOM 0 HA PHE A 64 4.661 21.697 43.947 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.335 21.613 42.491 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.290 23.017 42.575 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.683 23.887 44.946 1.00 0.00 H new ATOM 0 HD2 PHE A 64 8.939 21.246 44.145 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.744 24.552 47.070 1.00 0.00 H new ATOM 0 HE2 PHE A 64 10.001 21.909 46.269 1.00 0.00 H new ATOM 0 HZ PHE A 64 8.903 23.565 47.730 1.00 0.00 H new ATOM 979 N ASN A 65 4.168 22.000 41.369 1.00 0.00 N ATOM 980 CA ASN A 65 3.514 21.910 40.070 1.00 0.00 C ATOM 981 C ASN A 65 3.842 23.147 39.246 1.00 0.00 C ATOM 982 O ASN A 65 3.845 24.263 39.765 1.00 0.00 O ATOM 983 CB ASN A 65 2.005 21.783 40.256 1.00 0.00 C ATOM 984 CG ASN A 65 1.690 20.688 41.266 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.331 19.571 40.894 1.00 0.00 O ATOM 986 ND2 ASN A 65 1.825 21.007 42.548 1.00 0.00 N ATOM 0 H ASN A 65 4.145 22.931 41.785 1.00 0.00 H new ATOM 0 HA ASN A 65 3.876 21.027 39.543 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.592 22.732 40.597 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.532 21.554 39.301 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.628 20.313 43.270 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.125 21.946 42.811 1.00 0.00 H new ATOM 993 N PHE A 66 4.134 22.946 37.965 1.00 0.00 N ATOM 994 CA PHE A 66 4.481 24.056 37.082 1.00 0.00 C ATOM 995 C PHE A 66 3.510 24.150 35.912 1.00 0.00 C ATOM 996 O PHE A 66 2.826 23.184 35.574 1.00 0.00 O ATOM 997 CB PHE A 66 5.902 23.874 36.560 1.00 0.00 C ATOM 998 CG PHE A 66 6.951 24.232 37.582 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.189 25.560 37.893 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.676 23.233 38.212 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.152 25.890 38.833 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.638 23.563 39.152 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.877 24.891 39.462 1.00 0.00 C ATOM 0 H PHE A 66 4.138 22.030 37.516 1.00 0.00 H new ATOM 0 HA PHE A 66 4.417 24.981 37.654 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.041 22.838 36.252 1.00 0.00 H new ATOM 0 HB3 PHE A 66 6.040 24.492 35.673 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.624 26.339 37.403 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.491 22.197 37.970 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.337 26.926 39.075 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.202 22.784 39.643 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.628 25.148 40.194 1.00 0.00 H new ATOM 1013 N ARG A 67 3.466 25.326 35.294 1.00 0.00 N ATOM 1014 CA ARG A 67 2.592 25.572 34.152 1.00 0.00 C ATOM 1015 C ARG A 67 3.126 26.739 33.336 1.00 0.00 C ATOM 1016 O ARG A 67 2.669 27.873 33.482 1.00 0.00 O ATOM 1017 CB ARG A 67 1.176 25.877 34.630 1.00 0.00 C ATOM 1018 CG ARG A 67 0.349 24.601 34.742 1.00 0.00 C ATOM 1019 CD ARG A 67 -1.130 24.917 34.951 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.786 25.138 33.667 1.00 0.00 N ATOM 1021 CZ ARG A 67 -3.065 25.490 33.583 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -3.857 25.389 34.644 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.555 25.943 32.437 1.00 0.00 N ATOM 0 H ARG A 67 4.031 26.130 35.568 1.00 0.00 H new ATOM 0 HA ARG A 67 2.568 24.680 33.527 1.00 0.00 H new ATOM 0 HB2 ARG A 67 1.215 26.375 35.599 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.695 26.566 33.936 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.472 24.005 33.838 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.716 23.999 35.573 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -1.614 24.094 35.478 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -1.235 25.802 35.578 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.248 25.019 32.809 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.484 25.040 35.527 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.838 25.660 34.576 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -2.950 26.021 31.619 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.537 26.213 32.373 1.00 0.00 H new ATOM 1037 N PHE A 68 4.107 26.460 32.485 1.00 0.00 N ATOM 1038 CA PHE A 68 4.715 27.494 31.655 1.00 0.00 C ATOM 1039 C PHE A 68 3.845 27.825 30.460 1.00 0.00 C ATOM 1040 O PHE A 68 2.834 27.174 30.200 1.00 0.00 O ATOM 1041 CB PHE A 68 6.091 27.048 31.176 1.00 0.00 C ATOM 1042 CG PHE A 68 6.060 25.727 30.448 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.432 25.622 29.217 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.657 24.614 31.015 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.402 24.404 28.556 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.628 23.397 30.353 1.00 0.00 C ATOM 1047 CZ PHE A 68 6.000 23.293 29.124 1.00 0.00 C ATOM 0 H PHE A 68 4.498 25.527 32.352 1.00 0.00 H new ATOM 0 HA PHE A 68 4.816 28.391 32.267 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.505 27.811 30.517 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.760 26.969 32.033 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.966 26.489 28.773 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.146 24.694 31.975 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.912 24.322 27.597 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.095 22.530 30.796 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.977 22.344 28.608 1.00 0.00 H new ATOM 1057 N LEU A 69 4.268 28.846 29.736 1.00 0.00 N ATOM 1058 CA LEU A 69 3.567 29.302 28.545 1.00 0.00 C ATOM 1059 C LEU A 69 4.585 29.633 27.468 1.00 0.00 C ATOM 1060 O LEU A 69 4.853 30.803 27.201 1.00 0.00 O ATOM 1061 CB LEU A 69 2.727 30.537 28.868 1.00 0.00 C ATOM 1062 CG LEU A 69 1.972 30.371 30.185 1.00 0.00 C ATOM 1063 CD1 LEU A 69 1.528 31.729 30.721 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.768 29.450 30.002 1.00 0.00 C ATOM 0 H LEU A 69 5.107 29.383 29.956 1.00 0.00 H new ATOM 0 HA LEU A 69 2.902 28.515 28.191 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.373 31.413 28.926 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.017 30.717 28.061 1.00 0.00 H new ATOM 0 HG LEU A 69 2.645 29.916 30.911 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.992 31.592 31.660 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.403 32.357 30.891 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.872 32.210 29.995 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.243 29.344 30.951 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.093 29.876 29.260 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.107 28.471 29.664 1.00 0.00 H new ATOM 1076 N THR A 70 5.162 28.583 26.872 1.00 0.00 N ATOM 1077 CA THR A 70 6.185 28.714 25.824 1.00 0.00 C ATOM 1078 C THR A 70 5.990 29.970 24.983 1.00 0.00 C ATOM 1079 O THR A 70 4.869 30.315 24.606 1.00 0.00 O ATOM 1080 CB THR A 70 6.159 27.485 24.924 1.00 0.00 C ATOM 1081 OG1 THR A 70 4.820 27.080 24.702 1.00 0.00 O ATOM 1082 CG2 THR A 70 6.957 26.341 25.545 1.00 0.00 C ATOM 0 H THR A 70 4.933 27.616 27.102 1.00 0.00 H new ATOM 0 HA THR A 70 7.153 28.797 26.319 1.00 0.00 H new ATOM 0 HB THR A 70 6.619 27.744 23.970 1.00 0.00 H new ATOM 0 HG1 THR A 70 4.247 27.871 24.627 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.924 25.474 24.885 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.992 26.653 25.684 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.525 26.078 26.511 1.00 0.00 H new ATOM 1090 N GLU A 71 7.093 30.651 24.702 1.00 0.00 N ATOM 1091 CA GLU A 71 7.066 31.877 23.917 1.00 0.00 C ATOM 1092 C GLU A 71 6.264 31.685 22.633 1.00 0.00 C ATOM 1093 O GLU A 71 5.740 32.647 22.073 1.00 0.00 O ATOM 1094 CB GLU A 71 8.492 32.307 23.586 1.00 0.00 C ATOM 1095 CG GLU A 71 9.350 32.396 24.847 1.00 0.00 C ATOM 1096 CD GLU A 71 9.633 33.853 25.189 1.00 0.00 C ATOM 1097 OE1 GLU A 71 10.574 34.430 24.604 1.00 0.00 O ATOM 1098 OE2 GLU A 71 8.914 34.416 26.040 1.00 0.00 O ATOM 0 H GLU A 71 8.025 30.372 25.009 1.00 0.00 H new ATOM 0 HA GLU A 71 6.581 32.655 24.506 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.937 31.596 22.890 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.476 33.275 23.085 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.838 31.912 25.679 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.288 31.862 24.696 1.00 0.00 H new ATOM 1105 N LYS A 72 6.170 30.442 22.167 1.00 0.00 N ATOM 1106 CA LYS A 72 5.427 30.144 20.944 1.00 0.00 C ATOM 1107 C LYS A 72 5.197 28.644 20.793 1.00 0.00 C ATOM 1108 O LYS A 72 5.218 28.116 19.682 1.00 0.00 O ATOM 1109 CB LYS A 72 6.182 30.678 19.725 1.00 0.00 C ATOM 1110 CG LYS A 72 7.690 30.486 19.868 1.00 0.00 C ATOM 1111 CD LYS A 72 8.032 29.040 20.210 1.00 0.00 C ATOM 1112 CE LYS A 72 9.479 28.712 19.852 1.00 0.00 C ATOM 1113 NZ LYS A 72 9.614 28.369 18.408 1.00 0.00 N ATOM 0 H LYS A 72 6.596 29.630 22.614 1.00 0.00 H new ATOM 0 HA LYS A 72 4.456 30.635 21.011 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.833 30.167 18.828 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.960 31.737 19.595 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.185 30.770 18.939 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.071 31.147 20.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.871 28.868 21.274 1.00 0.00 H new ATOM 0 HD3 LYS A 72 7.361 28.369 19.673 1.00 0.00 H new ATOM 0 HE2 LYS A 72 10.116 29.564 20.087 1.00 0.00 H new ATOM 0 HE3 LYS A 72 9.826 27.877 20.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.608 28.151 18.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 9.024 27.541 18.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.305 29.176 17.829 1.00 0.00 H new ATOM 1127 N GLY A 73 4.973 27.959 21.911 1.00 0.00 N ATOM 1128 CA GLY A 73 4.737 26.520 21.887 1.00 0.00 C ATOM 1129 C GLY A 73 3.317 26.196 22.333 1.00 0.00 C ATOM 1130 O GLY A 73 2.350 26.496 21.631 1.00 0.00 O ATOM 0 H GLY A 73 4.950 28.376 22.842 1.00 0.00 H new ATOM 0 HA2 GLY A 73 4.903 26.137 20.880 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.451 26.019 22.540 1.00 0.00 H new ATOM 1134 N MET A 74 3.200 25.585 23.506 1.00 0.00 N ATOM 1135 CA MET A 74 1.902 25.216 24.060 1.00 0.00 C ATOM 1136 C MET A 74 2.046 24.839 25.529 1.00 0.00 C ATOM 1137 O MET A 74 2.677 23.835 25.861 1.00 0.00 O ATOM 1138 CB MET A 74 1.313 24.046 23.276 1.00 0.00 C ATOM 1139 CG MET A 74 2.220 22.820 23.349 1.00 0.00 C ATOM 1140 SD MET A 74 1.932 21.673 21.993 1.00 0.00 S ATOM 1141 CE MET A 74 1.484 20.183 22.897 1.00 0.00 C ATOM 0 H MET A 74 3.993 25.333 24.095 1.00 0.00 H new ATOM 0 HA MET A 74 1.230 26.070 23.980 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.329 23.798 23.673 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.173 24.336 22.235 1.00 0.00 H new ATOM 0 HG2 MET A 74 3.262 23.141 23.335 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.057 22.307 24.297 1.00 0.00 H new ATOM 0 HE1 MET A 74 1.275 19.379 22.192 1.00 0.00 H new ATOM 0 HE2 MET A 74 2.308 19.890 23.548 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.597 20.376 23.500 1.00 0.00 H new ATOM 1151 N LYS A 75 1.464 25.651 26.407 1.00 0.00 N ATOM 1152 CA LYS A 75 1.532 25.404 27.845 1.00 0.00 C ATOM 1153 C LYS A 75 1.092 23.981 28.163 1.00 0.00 C ATOM 1154 O LYS A 75 0.806 23.192 27.263 1.00 0.00 O ATOM 1155 CB LYS A 75 0.648 26.397 28.591 1.00 0.00 C ATOM 1156 CG LYS A 75 -0.701 26.567 27.900 1.00 0.00 C ATOM 1157 CD LYS A 75 -0.834 27.957 27.287 1.00 0.00 C ATOM 1158 CE LYS A 75 -1.694 27.925 26.027 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.131 28.161 26.346 1.00 0.00 N ATOM 0 H LYS A 75 0.939 26.487 26.148 1.00 0.00 H new ATOM 0 HA LYS A 75 2.565 25.532 28.168 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.494 26.053 29.614 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.152 27.362 28.652 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.812 25.811 27.122 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.504 26.405 28.619 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.276 28.637 28.015 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.155 28.347 27.046 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.345 28.684 25.327 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.583 26.960 25.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.690 28.133 25.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.468 27.422 26.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.238 29.093 26.796 1.00 0.00 H new ATOM 1173 N ASN A 76 1.039 23.659 29.452 1.00 0.00 N ATOM 1174 CA ASN A 76 0.634 22.328 29.892 1.00 0.00 C ATOM 1175 C ASN A 76 0.724 22.218 31.409 1.00 0.00 C ATOM 1176 O ASN A 76 1.561 22.864 32.039 1.00 0.00 O ATOM 1177 CB ASN A 76 1.527 21.276 29.242 1.00 0.00 C ATOM 1178 CG ASN A 76 0.683 20.273 28.467 1.00 0.00 C ATOM 1179 OD1 ASN A 76 0.951 18.988 28.673 1.00 0.00 O flip ATOM 1180 ND2 ASN A 76 -0.198 20.652 27.696 1.00 0.00 N flip ATOM 0 H ASN A 76 1.271 24.301 30.210 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.400 22.159 29.591 1.00 0.00 H new ATOM 0 HB2 ASN A 76 2.239 21.757 28.572 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.108 20.759 30.006 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.370 21.649 27.568 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.757 19.969 27.185 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.143 21.394 31.992 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.160 21.197 33.438 1.00 0.00 C ATOM 1189 C VAL A 77 0.761 20.047 33.820 1.00 0.00 C ATOM 1190 O VAL A 77 0.816 19.024 33.136 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.586 20.919 33.911 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.613 20.558 35.397 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.469 22.133 33.648 1.00 0.00 C ATOM 0 H VAL A 77 -0.843 20.852 31.485 1.00 0.00 H new ATOM 0 HA VAL A 77 0.198 22.104 33.924 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.972 20.068 33.350 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.640 20.365 35.706 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.010 19.666 35.566 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -1.208 21.385 35.980 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.484 21.926 33.988 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.074 22.994 34.188 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.482 22.349 32.580 1.00 0.00 H new ATOM 1203 N PHE A 78 1.494 20.229 34.910 1.00 0.00 N ATOM 1204 CA PHE A 78 2.426 19.223 35.383 1.00 0.00 C ATOM 1205 C PHE A 78 2.197 18.921 36.859 1.00 0.00 C ATOM 1206 O PHE A 78 1.906 19.818 37.650 1.00 0.00 O ATOM 1207 CB PHE A 78 3.845 19.724 35.169 1.00 0.00 C ATOM 1208 CG PHE A 78 4.126 20.072 33.730 1.00 0.00 C ATOM 1209 CD1 PHE A 78 4.304 19.065 32.796 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.203 21.398 33.339 1.00 0.00 C ATOM 1211 CE1 PHE A 78 4.558 19.384 31.473 1.00 0.00 C ATOM 1212 CE2 PHE A 78 4.458 21.718 32.016 1.00 0.00 C ATOM 1213 CZ PHE A 78 4.636 20.710 31.083 1.00 0.00 C ATOM 0 H PHE A 78 1.458 21.071 35.484 1.00 0.00 H new ATOM 0 HA PHE A 78 2.269 18.301 34.823 1.00 0.00 H new ATOM 0 HB2 PHE A 78 4.014 20.603 35.791 1.00 0.00 H new ATOM 0 HB3 PHE A 78 4.550 18.960 35.499 1.00 0.00 H new ATOM 0 HD1 PHE A 78 4.245 18.030 33.100 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.064 22.184 34.067 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.695 18.598 30.745 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.518 22.753 31.712 1.00 0.00 H new ATOM 0 HZ PHE A 78 4.836 20.958 30.051 1.00 0.00 H new ATOM 1223 N ASP A 79 2.338 17.651 37.221 1.00 0.00 N ATOM 1224 CA ASP A 79 2.156 17.219 38.603 1.00 0.00 C ATOM 1225 C ASP A 79 3.264 16.251 38.995 1.00 0.00 C ATOM 1226 O ASP A 79 3.892 15.633 38.135 1.00 0.00 O ATOM 1227 CB ASP A 79 0.795 16.550 38.768 1.00 0.00 C ATOM 1228 CG ASP A 79 0.057 17.145 39.960 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.240 16.637 41.087 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -0.702 18.117 39.767 1.00 0.00 O ATOM 0 H ASP A 79 2.579 16.900 36.575 1.00 0.00 H new ATOM 0 HA ASP A 79 2.201 18.092 39.255 1.00 0.00 H new ATOM 0 HB2 ASP A 79 0.204 16.683 37.862 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.924 15.477 38.910 1.00 0.00 H new ATOM 1235 N ASP A 80 3.509 16.126 40.295 1.00 0.00 N ATOM 1236 CA ASP A 80 4.552 15.234 40.790 1.00 0.00 C ATOM 1237 C ASP A 80 5.900 15.638 40.209 1.00 0.00 C ATOM 1238 O ASP A 80 6.742 14.790 39.915 1.00 0.00 O ATOM 1239 CB ASP A 80 4.230 13.792 40.408 1.00 0.00 C ATOM 1240 CG ASP A 80 3.133 13.240 41.308 1.00 0.00 C ATOM 1241 OD1 ASP A 80 3.460 12.727 42.399 1.00 0.00 O ATOM 1242 OD2 ASP A 80 1.948 13.321 40.922 1.00 0.00 O ATOM 0 H ASP A 80 3.002 16.629 41.023 1.00 0.00 H new ATOM 0 HA ASP A 80 4.597 15.310 41.876 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.912 13.747 39.366 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.126 13.177 40.495 1.00 0.00 H new ATOM 1247 N VAL A 81 6.093 16.942 40.040 1.00 0.00 N ATOM 1248 CA VAL A 81 7.335 17.474 39.488 1.00 0.00 C ATOM 1249 C VAL A 81 8.460 17.445 40.522 1.00 0.00 C ATOM 1250 O VAL A 81 9.611 17.734 40.197 1.00 0.00 O ATOM 1251 CB VAL A 81 7.110 18.903 39.004 1.00 0.00 C ATOM 1252 CG1 VAL A 81 8.366 19.444 38.329 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.922 18.961 38.047 1.00 0.00 C ATOM 0 H VAL A 81 5.402 17.653 40.279 1.00 0.00 H new ATOM 0 HA VAL A 81 7.633 16.845 38.649 1.00 0.00 H new ATOM 0 HB VAL A 81 6.888 19.528 39.869 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.186 20.464 37.990 1.00 0.00 H new ATOM 0 HG12 VAL A 81 9.192 19.438 39.040 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.618 18.817 37.474 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.775 19.988 37.711 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.117 18.322 37.186 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.024 18.615 38.560 1.00 0.00 H new ATOM 1263 N VAL A 82 8.133 17.095 41.765 1.00 0.00 N ATOM 1264 CA VAL A 82 9.131 17.033 42.828 1.00 0.00 C ATOM 1265 C VAL A 82 8.696 16.044 43.905 1.00 0.00 C ATOM 1266 O VAL A 82 7.526 16.008 44.287 1.00 0.00 O ATOM 1267 CB VAL A 82 9.327 18.417 43.443 1.00 0.00 C ATOM 1268 CG1 VAL A 82 10.393 18.371 44.534 1.00 0.00 C ATOM 1269 CG2 VAL A 82 9.705 19.433 42.370 1.00 0.00 C ATOM 0 H VAL A 82 7.187 16.851 42.059 1.00 0.00 H new ATOM 0 HA VAL A 82 10.075 16.695 42.401 1.00 0.00 H new ATOM 0 HB VAL A 82 8.385 18.728 43.894 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.520 19.366 44.961 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.084 17.677 45.316 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.338 18.037 44.105 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.840 20.413 42.828 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.634 19.126 41.889 1.00 0.00 H new ATOM 0 HG23 VAL A 82 8.911 19.487 41.625 1.00 0.00 H new ATOM 1279 N PRO A 83 9.636 15.228 44.415 1.00 0.00 N ATOM 1280 CA PRO A 83 9.340 14.236 45.458 1.00 0.00 C ATOM 1281 C PRO A 83 9.169 14.880 46.828 1.00 0.00 C ATOM 1282 O PRO A 83 9.148 16.105 46.950 1.00 0.00 O ATOM 1283 CB PRO A 83 10.552 13.315 45.446 1.00 0.00 C ATOM 1284 CG PRO A 83 11.672 14.137 44.894 1.00 0.00 C ATOM 1285 CD PRO A 83 11.056 15.204 44.021 1.00 0.00 C ATOM 0 HA PRO A 83 8.403 13.714 45.266 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.784 12.959 46.450 1.00 0.00 H new ATOM 0 HB3 PRO A 83 10.370 12.435 44.829 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.252 14.587 45.700 1.00 0.00 H new ATOM 0 HG3 PRO A 83 12.357 13.516 44.317 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.530 16.172 44.184 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.171 14.967 42.963 1.00 0.00 H new ATOM 1293 N GLU A 84 9.049 14.048 47.856 1.00 0.00 N ATOM 1294 CA GLU A 84 8.883 14.536 49.221 1.00 0.00 C ATOM 1295 C GLU A 84 10.156 15.223 49.693 1.00 0.00 C ATOM 1296 O GLU A 84 10.107 16.280 50.322 1.00 0.00 O ATOM 1297 CB GLU A 84 8.542 13.376 50.151 1.00 0.00 C ATOM 1298 CG GLU A 84 7.285 12.644 49.688 1.00 0.00 C ATOM 1299 CD GLU A 84 6.741 11.771 50.810 1.00 0.00 C ATOM 1300 OE1 GLU A 84 6.352 12.324 51.860 1.00 0.00 O ATOM 1301 OE2 GLU A 84 6.706 10.534 50.638 1.00 0.00 O ATOM 0 H GLU A 84 9.063 13.032 47.771 1.00 0.00 H new ATOM 0 HA GLU A 84 8.067 15.258 49.239 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.379 12.678 50.187 1.00 0.00 H new ATOM 0 HB3 GLU A 84 8.395 13.751 51.164 1.00 0.00 H new ATOM 0 HG2 GLU A 84 6.528 13.365 49.379 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.513 12.029 48.817 1.00 0.00 H new ATOM 1308 N LYS A 85 11.298 14.618 49.383 1.00 0.00 N ATOM 1309 CA LYS A 85 12.590 15.172 49.772 1.00 0.00 C ATOM 1310 C LYS A 85 13.502 15.284 48.558 1.00 0.00 C ATOM 1311 O LYS A 85 14.397 14.461 48.362 1.00 0.00 O ATOM 1312 CB LYS A 85 13.239 14.286 50.831 1.00 0.00 C ATOM 1313 CG LYS A 85 12.448 14.317 52.135 1.00 0.00 C ATOM 1314 CD LYS A 85 13.007 13.318 53.144 1.00 0.00 C ATOM 1315 CE LYS A 85 14.411 13.712 53.592 1.00 0.00 C ATOM 1316 NZ LYS A 85 14.527 13.709 55.078 1.00 0.00 N ATOM 0 H LYS A 85 11.355 13.743 48.863 1.00 0.00 H new ATOM 0 HA LYS A 85 12.434 16.168 50.187 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.301 13.261 50.464 1.00 0.00 H new ATOM 0 HB3 LYS A 85 14.260 14.621 51.014 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.479 15.321 52.558 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.401 14.088 51.934 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.348 13.265 54.010 1.00 0.00 H new ATOM 0 HD3 LYS A 85 13.030 12.323 52.700 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.138 13.020 53.167 1.00 0.00 H new ATOM 0 HE3 LYS A 85 14.653 14.703 53.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.493 13.981 55.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.849 14.387 55.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.320 12.756 55.440 1.00 0.00 H new ATOM 1330 N TYR A 86 13.268 16.308 47.743 1.00 0.00 N ATOM 1331 CA TYR A 86 14.065 16.532 46.541 1.00 0.00 C ATOM 1332 C TYR A 86 15.551 16.514 46.875 1.00 0.00 C ATOM 1333 O TYR A 86 15.944 16.719 48.023 1.00 0.00 O ATOM 1334 CB TYR A 86 13.690 17.869 45.909 1.00 0.00 C ATOM 1335 CG TYR A 86 14.108 19.052 46.745 1.00 0.00 C ATOM 1336 CD1 TYR A 86 13.282 19.513 47.756 1.00 0.00 C ATOM 1337 CD2 TYR A 86 15.319 19.679 46.506 1.00 0.00 C ATOM 1338 CE1 TYR A 86 13.666 20.599 48.525 1.00 0.00 C ATOM 1339 CE2 TYR A 86 15.702 20.765 47.276 1.00 0.00 C ATOM 1340 CZ TYR A 86 14.874 21.219 48.281 1.00 0.00 C ATOM 1341 OH TYR A 86 15.255 22.297 49.047 1.00 0.00 O ATOM 0 H TYR A 86 12.531 16.997 47.893 1.00 0.00 H new ATOM 0 HA TYR A 86 13.858 15.730 45.832 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.155 17.943 44.926 1.00 0.00 H new ATOM 0 HB3 TYR A 86 12.611 17.902 45.755 1.00 0.00 H new ATOM 0 HD1 TYR A 86 12.337 19.025 47.945 1.00 0.00 H new ATOM 0 HD2 TYR A 86 15.966 19.321 45.719 1.00 0.00 H new ATOM 0 HE1 TYR A 86 13.022 20.959 49.313 1.00 0.00 H new ATOM 0 HE2 TYR A 86 16.646 21.255 47.090 1.00 0.00 H new ATOM 0 HH TYR A 86 16.132 22.617 48.748 1.00 0.00 H new ATOM 1351 N THR A 87 16.373 16.269 45.861 1.00 0.00 N ATOM 1352 CA THR A 87 17.820 16.224 46.037 1.00 0.00 C ATOM 1353 C THR A 87 18.510 16.928 44.876 1.00 0.00 C ATOM 1354 O THR A 87 18.499 16.438 43.747 1.00 0.00 O ATOM 1355 CB THR A 87 18.291 14.775 46.121 1.00 0.00 C ATOM 1356 OG1 THR A 87 17.507 14.063 47.065 1.00 0.00 O ATOM 1357 CG2 THR A 87 19.766 14.705 46.509 1.00 0.00 C ATOM 0 H THR A 87 16.061 16.098 44.905 1.00 0.00 H new ATOM 0 HA THR A 87 18.078 16.735 46.964 1.00 0.00 H new ATOM 0 HB THR A 87 18.172 14.318 45.138 1.00 0.00 H new ATOM 0 HG1 THR A 87 17.815 13.134 47.112 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.079 13.662 46.563 1.00 0.00 H new ATOM 0 HG22 THR A 87 20.364 15.225 45.761 1.00 0.00 H new ATOM 0 HG23 THR A 87 19.909 15.177 47.481 1.00 0.00 H new ATOM 1365 N ILE A 88 19.109 18.081 45.159 1.00 0.00 N ATOM 1366 CA ILE A 88 19.805 18.855 44.134 1.00 0.00 C ATOM 1367 C ILE A 88 20.777 17.966 43.367 1.00 0.00 C ATOM 1368 O ILE A 88 21.912 17.757 43.792 1.00 0.00 O ATOM 1369 CB ILE A 88 20.553 20.020 44.779 1.00 0.00 C ATOM 1370 CG1 ILE A 88 19.576 20.940 45.508 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.337 20.804 43.732 1.00 0.00 C ATOM 1372 CD1 ILE A 88 19.772 20.870 47.020 1.00 0.00 C ATOM 0 H ILE A 88 19.127 18.500 46.089 1.00 0.00 H new ATOM 0 HA ILE A 88 19.070 19.251 43.433 1.00 0.00 H new ATOM 0 HB ILE A 88 21.259 19.614 45.504 1.00 0.00 H new ATOM 0 HG12 ILE A 88 19.717 21.966 45.168 1.00 0.00 H new ATOM 0 HG13 ILE A 88 18.553 20.659 45.258 1.00 0.00 H new ATOM 0 HG21 ILE A 88 21.862 21.629 44.213 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.060 20.146 43.250 1.00 0.00 H new ATOM 0 HG23 ILE A 88 20.650 21.199 42.983 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.062 21.536 47.510 1.00 0.00 H new ATOM 0 HD12 ILE A 88 19.606 19.848 47.361 1.00 0.00 H new ATOM 0 HD13 ILE A 88 20.788 21.176 47.270 1.00 0.00 H new ATOM 1384 N GLY A 89 20.319 17.445 42.233 1.00 0.00 N ATOM 1385 CA GLY A 89 21.141 16.574 41.400 1.00 0.00 C ATOM 1386 C GLY A 89 20.322 15.398 40.884 1.00 0.00 C ATOM 1387 O GLY A 89 20.775 14.253 40.913 1.00 0.00 O ATOM 0 H GLY A 89 19.381 17.611 41.869 1.00 0.00 H new ATOM 0 HA2 GLY A 89 21.544 17.140 40.560 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.991 16.208 41.975 1.00 0.00 H new ATOM 1391 N ALA A 90 19.113 15.686 40.411 1.00 0.00 N ATOM 1392 CA ALA A 90 18.226 14.652 39.888 1.00 0.00 C ATOM 1393 C ALA A 90 17.046 15.287 39.163 1.00 0.00 C ATOM 1394 O ALA A 90 16.514 16.308 39.600 1.00 0.00 O ATOM 1395 CB ALA A 90 17.723 13.772 41.028 1.00 0.00 C ATOM 0 H ALA A 90 18.725 16.629 40.379 1.00 0.00 H new ATOM 0 HA ALA A 90 18.783 14.037 39.181 1.00 0.00 H new ATOM 0 HB1 ALA A 90 17.062 13.003 40.629 1.00 0.00 H new ATOM 0 HB2 ALA A 90 18.571 13.300 41.524 1.00 0.00 H new ATOM 0 HB3 ALA A 90 17.177 14.384 41.746 1.00 0.00 H new ATOM 1401 N THR A 91 16.639 14.680 38.052 1.00 0.00 N ATOM 1402 CA THR A 91 15.520 15.191 37.267 1.00 0.00 C ATOM 1403 C THR A 91 14.211 14.563 37.726 1.00 0.00 C ATOM 1404 O THR A 91 14.172 13.398 38.123 1.00 0.00 O ATOM 1405 CB THR A 91 15.740 14.901 35.785 1.00 0.00 C ATOM 1406 OG1 THR A 91 16.966 15.472 35.354 1.00 0.00 O ATOM 1407 CG2 THR A 91 14.584 15.447 34.948 1.00 0.00 C ATOM 0 H THR A 91 17.067 13.834 37.675 1.00 0.00 H new ATOM 0 HA THR A 91 15.462 16.269 37.416 1.00 0.00 H new ATOM 0 HB THR A 91 15.782 13.820 35.649 1.00 0.00 H new ATOM 0 HG1 THR A 91 17.100 15.280 34.402 1.00 0.00 H new ATOM 0 HG21 THR A 91 14.762 15.229 33.895 1.00 0.00 H new ATOM 0 HG22 THR A 91 13.653 14.977 35.263 1.00 0.00 H new ATOM 0 HG23 THR A 91 14.511 16.526 35.088 1.00 0.00 H new ATOM 1415 N TYR A 92 13.141 15.345 37.662 1.00 0.00 N ATOM 1416 CA TYR A 92 11.817 14.880 38.061 1.00 0.00 C ATOM 1417 C TYR A 92 10.812 15.196 36.957 1.00 0.00 C ATOM 1418 O TYR A 92 11.181 15.275 35.785 1.00 0.00 O ATOM 1419 CB TYR A 92 11.409 15.550 39.371 1.00 0.00 C ATOM 1420 CG TYR A 92 12.496 15.508 40.416 1.00 0.00 C ATOM 1421 CD1 TYR A 92 12.882 14.297 40.967 1.00 0.00 C ATOM 1422 CD2 TYR A 92 13.110 16.679 40.828 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.880 14.258 41.926 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.108 16.637 41.788 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.488 15.428 42.332 1.00 0.00 C ATOM 1426 OH TYR A 92 15.478 15.388 43.286 1.00 0.00 O ATOM 0 H TYR A 92 13.164 16.311 37.335 1.00 0.00 H new ATOM 0 HA TYR A 92 11.837 13.801 38.216 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.141 16.588 39.174 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.517 15.060 39.762 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.404 13.382 40.648 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.811 17.625 40.401 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.182 13.314 42.355 1.00 0.00 H new ATOM 0 HE2 TYR A 92 14.588 17.550 42.110 1.00 0.00 H new ATOM 0 HH TYR A 92 15.624 14.461 43.567 1.00 0.00 H new ATOM 1436 N ALA A 93 9.542 15.381 37.322 1.00 0.00 N ATOM 1437 CA ALA A 93 8.495 15.694 36.347 1.00 0.00 C ATOM 1438 C ALA A 93 8.067 14.440 35.596 1.00 0.00 C ATOM 1439 O ALA A 93 8.651 13.370 35.771 1.00 0.00 O ATOM 1440 CB ALA A 93 8.987 16.745 35.353 1.00 0.00 C ATOM 0 H ALA A 93 9.213 15.320 38.286 1.00 0.00 H new ATOM 0 HA ALA A 93 7.637 16.090 36.890 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.196 16.966 34.636 1.00 0.00 H new ATOM 0 HB2 ALA A 93 9.255 17.655 35.889 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.861 16.365 34.824 1.00 0.00 H new ATOM 1446 N PRO A 94 7.034 14.559 34.744 1.00 0.00 N ATOM 1447 CA PRO A 94 6.521 13.428 33.958 1.00 0.00 C ATOM 1448 C PRO A 94 7.429 13.093 32.780 1.00 0.00 C ATOM 1449 O PRO A 94 8.422 13.819 32.567 1.00 0.00 O ATOM 1450 CB PRO A 94 5.160 13.907 33.472 1.00 0.00 C ATOM 1451 CG PRO A 94 5.240 15.399 33.463 1.00 0.00 C ATOM 1452 CD PRO A 94 6.283 15.799 34.478 1.00 0.00 C ATOM 0 HA PRO A 94 6.467 12.513 34.548 1.00 0.00 H new ATOM 0 HB2 PRO A 94 4.940 13.520 32.477 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.364 13.561 34.131 1.00 0.00 H new ATOM 0 HG2 PRO A 94 5.509 15.763 32.472 1.00 0.00 H new ATOM 0 HG3 PRO A 94 4.274 15.837 33.712 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.934 16.582 34.090 1.00 0.00 H new ATOM 0 HD3 PRO A 94 5.824 16.188 35.387 1.00 0.00 H new TER 1460 PRO A 94